(2-chloro-2-fluorocyclopropyl)-[3-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-8-azabicyclo[3.2.1]oct-2-en-8-yl]methanone;(2-fluorocyclopropyl)-[3-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-8-azabicyclo[3.2.1]oct-2-en-8-yl]methanone;1-[3-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-8-azabicyclo[3.2.1]oct-2-en-8-yl]but-3-yn-1-one;[3-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-8-azabicyclo[3.2.1]oct-2-en-8-yl]-[1-(trifluoromethyl)cyclopropyl]methanone;[3-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-8-azabicyclo[3.2.1]oct-2-en-8-yl]-[2-(trifluoromethyl)cyclopropyl]methanone

C97H103ClF8N30O5 — CID 167640105

IUPAC(2-chloro-2-fluorocyclopropyl)-[3-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-8-azabicyclo[3.2.1]oct-2-en-8-yl]methanone;(2-fluorocyclopropyl)-[3-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-8-azabicyclo[3.2.1]oct-2-en-8-yl]methanone;1-[3-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-8-azabicyclo[3.2.1]oct-2-en-8-yl]but-3-yn-1-one;[3-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-8-azabicyclo[3.2.1]oct-2-en-8-yl]-[1-(trifluoromethyl)cyclopropyl]methanone;[3-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-8-azabicyclo[3.2.1]oct-2-en-8-yl]-[2-(trifluoromethyl)cyclopropyl]methanone
SMILESC#CCC(=O)N1C2C=C(c3ccnc(Nc4cnn(C)c4)n3)CC1CC2.Cn1cc(Nc2nccc(C3=CC4CCC(C3)N4C(=O)C3(C(F)(F)F)CC3)n2)cn1.Cn1cc(Nc2nccc(C3=CC4CCC(C3)N4C(=O)C3CC3(F)Cl)n2)cn1.Cn1cc(Nc2nccc(C3=CC4CCC(C3)N4C(=O)C3CC3C(F)(F)F)n2)cn1.Cn1cc(Nc2nccc(C3=CC4CCC(C3)N4C(=O)C3CC3F)n2)cn1
InChIInChI=1S/2C20H21F3N6O.C19H20ClFN6O.C19H21FN6O.C19H20N6O/c1-28-11-13(10-25-28)26-18-24-7-4-16(27-18)12-8-14-2-3-15(9-12)29(14)17(30)19(5-6-19)20(21,22)23;1-28-10-12(9-25-28)26-19-24-5-4-17(27-19)11-6-13-2-3-14(7-11)29(13)18(30)15-8-16(15)20(21,22)23;1-26-10-12(9-23-26)24-18-22-5-4-16(25-18)11-6-13-2-3-14(7-11)27(13)17(28)15-8-19(15,20)21;1-25-10-12(9-22-25)23-19-21-5-4-17(24-19)11-6-13-2-3-14(7-11)26(13)18(27)15-8-16(15)20;1-3-4-18(26)25-15-5-6-16(25)10-13(9-15)17-7-8-20-19(23-17)22-14-11-21-24(2)12-14/h4,7-8,10-11,14-15H,2-3,5-6,9H2,1H3,(H,24,26,27);4-6,9-10,13-16H,2-3,7-8H2,1H3,(H,24,26,27);4-6,9-10,13-15H,2-3,7-8H2,1H3,(H,22,24,25);4-6,9-10,13-16H,2-3,7-8H2,1H3,(H,21,23,24);1,7-9,11-12,15-16H,4-6,10H2,2H3,(H,20,22,23)
InChIKeyPAZBSWBIRQWWEL-UHFFFAOYSA-N
MW1956.53 g/mol
LogP14.35
Rot. Bonds20

About (2-chloro-2-fluorocyclopropyl)-[3-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-8-azabicyclo[3.2.1]oct-2-en-8-yl]methanone;(2-fluorocyclopropyl)-[3-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-8-azabicyclo[3.2.1]oct-2-en-8-yl]methanone;1-[3-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-8-azabicyclo[3.2.1]oct-2-en-8-yl]but-3-yn-1-one;[3-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-8-azabicyclo[3.2.1]oct-2-en-8-yl]-[1-(trifluoromethyl)cyclopropyl]methanone;[3-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-8-azabicyclo[3.2.1]oct-2-en-8-yl]-[2-(trifluoromethyl)cyclopropyl]methanone

(2-chloro-2-fluorocyclopropyl)-[3-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-8-azabicyclo[3.2.1]oct-2-en-8-yl]methanone;(2-fluorocyclopropyl)-[3-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-8-azabicyclo[3.2.1]oct-2-en-8-yl]methanone;1-[3-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-8-azabicyclo[3.2.1]oct-2-en-8-yl]but-3-yn-1-one;[3-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-8-azabicyclo[3.2.1]oct-2-en-8-yl]-[1-(trifluoromethyl)cyclopropyl]methanone;[3-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-8-azabicyclo[3.2.1]oct-2-en-8-yl]-[2-(trifluoromethyl)cyclopropyl]methanone (PubChem CID 167640105) has the molecular formula C97H103ClF8N30O5 and a molecular weight of 1956.53 g/mol. Its IUPAC name is (2-chloro-2-fluorocyclopropyl)-[3-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-8-azabicyclo[3.2.1]oct-2-en-8-yl]methanone;(2-fluorocyclopropyl)-[3-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-8-azabicyclo[3.2.1]oct-2-en-8-yl]methanone;1-[3-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-8-azabicyclo[3.2.1]oct-2-en-8-yl]but-3-yn-1-one;[3-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-8-azabicyclo[3.2.1]oct-2-en-8-yl]-[1-(trifluoromethyl)cyclopropyl]methanone;[3-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-8-azabicyclo[3.2.1]oct-2-en-8-yl]-[2-(trifluoromethyl)cyclopropyl]methanone.

Molecular Properties

Compound Name(2-chloro-2-fluorocyclopropyl)-[3-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-8-azabicyclo[3.2.1]oct-2-en-8-yl]methanone;(2-fluorocyclopropyl)-[3-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-8-azabicyclo[3.2.1]oct-2-en-8-yl]methanone;1-[3-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-8-azabicyclo[3.2.1]oct-2-en-8-yl]but-3-yn-1-one;[3-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-8-azabicyclo[3.2.1]oct-2-en-8-yl]-[1-(trifluoromethyl)cyclopropyl]methanone;[3-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-8-azabicyclo[3.2.1]oct-2-en-8-yl]-[2-(trifluoromethyl)cyclopropyl]methanone
PubChem CID167640105
Molecular FormulaC97H103ClF8N30O5
Molecular Weight1956.53 g/mol
Exact Mass1954.83
IUPAC Name(2-chloro-2-fluorocyclopropyl)-[3-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-8-azabicyclo[3.2.1]oct-2-en-8-yl]methanone;(2-fluorocyclopropyl)-[3-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-8-azabicyclo[3.2.1]oct-2-en-8-yl]methanone;1-[3-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-8-azabicyclo[3.2.1]oct-2-en-8-yl]but-3-yn-1-one;[3-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-8-azabicyclo[3.2.1]oct-2-en-8-yl]-[1-(trifluoromethyl)cyclopropyl]methanone;[3-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-8-azabicyclo[3.2.1]oct-2-en-8-yl]-[2-(trifluoromethyl)cyclopropyl]methanone
SMILESC#CCC(=O)N1C2C=C(c3ccnc(Nc4cnn(C)c4)n3)CC1CC2.Cn1cc(Nc2nccc(C3=CC4CCC(C3)N4C(=O)C3(C(F)(F)F)CC3)n2)cn1.Cn1cc(Nc2nccc(C3=CC4CCC(C3)N4C(=O)C3CC3(F)Cl)n2)cn1.Cn1cc(Nc2nccc(C3=CC4CCC(C3)N4C(=O)C3CC3C(F)(F)F)n2)cn1.Cn1cc(Nc2nccc(C3=CC4CCC(C3)N4C(=O)C3CC3F)n2)cn1
InChIInChI=1S/2C20H21F3N6O.C19H20ClFN6O.C19H21FN6O.C19H20N6O/c1-28-11-13(10-25-28)26-18-24-7-4-16(27-18)12-8-14-2-3-15(9-12)29(14)17(30)19(5-6-19)20(21,22)23;1-28-10-12(9-25-28)26-19-24-5-4-17(27-19)11-6-13-2-3-14(7-11)29(13)18(30)15-8-16(15)20(21,22)23;1-26-10-12(9-23-26)24-18-22-5-4-16(25-18)11-6-13-2-3-14(7-11)27(13)17(28)15-8-19(15,20)21;1-25-10-12(9-22-25)23-19-21-5-4-17(24-19)11-6-13-2-3-14(7-11)26(13)18(27)15-8-16(15)20;1-3-4-18(26)25-15-5-6-16(25)10-13(9-15)17-7-8-20-19(23-17)22-14-11-21-24(2)12-14/h4,7-8,10-11,14-15H,2-3,5-6,9H2,1H3,(H,24,26,27);4-6,9-10,13-16H,2-3,7-8H2,1H3,(H,24,26,27);4-6,9-10,13-15H,2-3,7-8H2,1H3,(H,22,24,25);4-6,9-10,13-16H,2-3,7-8H2,1H3,(H,21,23,24);1,7-9,11-12,15-16H,4-6,10H2,2H3,(H,20,22,23)
InChIKeyPAZBSWBIRQWWEL-UHFFFAOYSA-N
XLogP14.35
TPSA379.70 Ų
H-Bond Donors5
H-Bond Acceptors30
Rotatable Bonds20
Heavy Atoms141
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001956.53
LogP ≤ 514.35
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze (2-chloro-2-fluorocyclopropyl)-[3-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-8-azabicyclo[3.2.1]oct-2-en-8-yl]methanone;(2-fluorocyclopropyl)-[3-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-8-azabicyclo[3.2.1]oct-2-en-8-yl]methanone;1-[3-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-8-azabicyclo[3.2.1]oct-2-en-8-yl]but-3-yn-1-one;[3-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-8-azabicyclo[3.2.1]oct-2-en-8-yl]-[1-(trifluoromethyl)cyclopropyl]methanone;[3-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-8-azabicyclo[3.2.1]oct-2-en-8-yl]-[2-(trifluoromethyl)cyclopropyl]methanone with MolForge

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Launch Full Analysis

Related Compounds

[(1S,2R)-2-fluorocyclopropyl]-[(1S,5R)-3-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-8-azabicyclo[3.2.1]oct-2-en-8-yl]methanone
CID 164581377
tert-butyl 3-[2-[[1-(2-amino-2-oxoethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate
CID 166018905
[(1R,2R)-2-fluorocyclopropyl]-[(1S,5R)-3-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone
CID 118878266
(1-fluorocyclopropyl)-[(1S,5R)-3-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone
CID 118878271
(2,2-difluorocyclopropyl)-[3-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone;ethane
CID 162429123
4-(3-bicyclo[3.2.1]oct-2-enyl)-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine;bis((3R)-1-[3-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-8-azabicyclo[3.2.1]oct-2-ene-8-carbonyl]pyrrolidine-3-carbonitrile);(3R)-pyrrolidine-3-carbonitrile;dihydrochloride
CID 167547753
[3-[2-[(1-amino-3-propan-2-yliminoprop-1-en-2-yl)amino]pyrimidin-4-yl]-8-azabicyclo[3.2.1]oct-2-en-8-yl]-(2,2-difluorocyclopropyl)methanone
CID 174011876
cyclopropyl-[(1R,5R)-3-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone
CID 155558729
[(1S)-2,2-difluorocyclopropyl]-[(1S,5R)-3-[2-[(1-propylpyrazol-4-yl)amino]pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone
CID 162426366
tert-butyl N-chloro-N-[[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]methyl]carbamate
CID 118139517
1,1-difluorocyclopropane;3-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octane-8-carbaldehyde;molecular hydrogen
CID 155716584
tert-butyl N-[3-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridin-9-yl]carbamate
CID 137445100

Frequently Asked Questions

What is the IUPAC name of (2-chloro-2-fluorocyclopropyl)-[3-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-8-azabicyclo[3.2.1]oct-2-en-8-yl]methanone;(2-fluorocyclopropyl)-[3-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-8-azabicyclo[3.2.1]oct-2-en-8-yl]methanone;1-[3-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-8-azabicyclo[3.2.1]oct-2-en-8-yl]but-3-yn-1-one;[3-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-8-azabicyclo[3.2.1]oct-2-en-8-yl]-[1-(trifluoromethyl)cyclopropyl]methanone;[3-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-8-azabicyclo[3.2.1]oct-2-en-8-yl]-[2-(trifluoromethyl)cyclopropyl]methanone?
The IUPAC name of (2-chloro-2-fluorocyclopropyl)-[3-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-8-azabicyclo[3.2.1]oct-2-en-8-yl]methanone;(2-fluorocyclopropyl)-[3-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-8-azabicyclo[3.2.1]oct-2-en-8-yl]methanone;1-[3-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-8-azabicyclo[3.2.1]oct-2-en-8-yl]but-3-yn-1-one;[3-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-8-azabicyclo[3.2.1]oct-2-en-8-yl]-[1-(trifluoromethyl)cyclopropyl]methanone;[3-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-8-azabicyclo[3.2.1]oct-2-en-8-yl]-[2-(trifluoromethyl)cyclopropyl]methanone (CID 167640105) is (2-chloro-2-fluorocyclopropyl)-[3-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-8-azabicyclo[3.2.1]oct-2-en-8-yl]methanone;(2-fluorocyclopropyl)-[3-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-8-azabicyclo[3.2.1]oct-2-en-8-yl]methanone;1-[3-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-8-azabicyclo[3.2.1]oct-2-en-8-yl]but-3-yn-1-one;[3-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-8-azabicyclo[3.2.1]oct-2-en-8-yl]-[1-(trifluoromethyl)cyclopropyl]methanone;[3-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-8-azabicyclo[3.2.1]oct-2-en-8-yl]-[2-(trifluoromethyl)cyclopropyl]methanone.
What is the SMILES notation for (2-chloro-2-fluorocyclopropyl)-[3-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-8-azabicyclo[3.2.1]oct-2-en-8-yl]methanone;(2-fluorocyclopropyl)-[3-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-8-azabicyclo[3.2.1]oct-2-en-8-yl]methanone;1-[3-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-8-azabicyclo[3.2.1]oct-2-en-8-yl]but-3-yn-1-one;[3-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-8-azabicyclo[3.2.1]oct-2-en-8-yl]-[1-(trifluoromethyl)cyclopropyl]methanone;[3-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-8-azabicyclo[3.2.1]oct-2-en-8-yl]-[2-(trifluoromethyl)cyclopropyl]methanone?
The canonical SMILES for (2-chloro-2-fluorocyclopropyl)-[3-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-8-azabicyclo[3.2.1]oct-2-en-8-yl]methanone;(2-fluorocyclopropyl)-[3-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-8-azabicyclo[3.2.1]oct-2-en-8-yl]methanone;1-[3-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-8-azabicyclo[3.2.1]oct-2-en-8-yl]but-3-yn-1-one;[3-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-8-azabicyclo[3.2.1]oct-2-en-8-yl]-[1-(trifluoromethyl)cyclopropyl]methanone;[3-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-8-azabicyclo[3.2.1]oct-2-en-8-yl]-[2-(trifluoromethyl)cyclopropyl]methanone is C#CCC(=O)N1C2C=C(c3ccnc(Nc4cnn(C)c4)n3)CC1CC2.Cn1cc(Nc2nccc(C3=CC4CCC(C3)N4C(=O)C3(C(F)(F)F)CC3)n2)cn1.Cn1cc(Nc2nccc(C3=CC4CCC(C3)N4C(=O)C3CC3(F)Cl)n2)cn1.Cn1cc(Nc2nccc(C3=CC4CCC(C3)N4C(=O)C3CC3C(F)(F)F)n2)cn1.Cn1cc(Nc2nccc(C3=CC4CCC(C3)N4C(=O)C3CC3F)n2)cn1.
What is the InChIKey of (2-chloro-2-fluorocyclopropyl)-[3-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-8-azabicyclo[3.2.1]oct-2-en-8-yl]methanone;(2-fluorocyclopropyl)-[3-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-8-azabicyclo[3.2.1]oct-2-en-8-yl]methanone;1-[3-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-8-azabicyclo[3.2.1]oct-2-en-8-yl]but-3-yn-1-one;[3-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-8-azabicyclo[3.2.1]oct-2-en-8-yl]-[1-(trifluoromethyl)cyclopropyl]methanone;[3-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-8-azabicyclo[3.2.1]oct-2-en-8-yl]-[2-(trifluoromethyl)cyclopropyl]methanone?
The InChIKey is PAZBSWBIRQWWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H21F3N6O.C19H20ClFN6O.C19H21FN6O.C19H20N6O/c1-28-11-13(10-25-28)26-18-24-7-4-16(27-18)12-8-14-2-3-15(9-12)29(14)17(30)19(5-6-19)20(21,22)23;1-28-10-12(9-25-28)26-19-24-5-4-17(27-19)11-6-13-2-3-14(7-11)29(13)18(30)15-8-16(15)20(21,22)23;1-26-10-12(9-23-26)24-18-22-5-4-16(25-18)11-6-13-2-3-14(7-11)27(13)17(28)15-8-19(15,20)21;1-25-10-12(9-22-25)23-19-21-5-4-17(24-19)11-6-13-2-3-14(7-11)26(13)18(27)15-8-16(15)20;1-3-4-18(26)25-15-5-6-16(25)10-13(9-15)17-7-8-20-19(23-17)22-14-11-21-24(2)12-14/h4,7-8,10-11,14-15H,2-3,5-6,9H2,1H3,(H,24,26,27);4-6,9-10,13-16H,2-3,7-8H2,1H3,(H,24,26,27);4-6,9-10,13-15H,2-3,7-8H2,1H3,(H,22,24,25);4-6,9-10,13-16H,2-3,7-8H2,1H3,(H,21,23,24);1,7-9,11-12,15-16H,4-6,10H2,2H3,(H,20,22,23).
What are the key properties of (2-chloro-2-fluorocyclopropyl)-[3-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-8-azabicyclo[3.2.1]oct-2-en-8-yl]methanone;(2-fluorocyclopropyl)-[3-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-8-azabicyclo[3.2.1]oct-2-en-8-yl]methanone;1-[3-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-8-azabicyclo[3.2.1]oct-2-en-8-yl]but-3-yn-1-one;[3-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-8-azabicyclo[3.2.1]oct-2-en-8-yl]-[1-(trifluoromethyl)cyclopropyl]methanone;[3-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-8-azabicyclo[3.2.1]oct-2-en-8-yl]-[2-(trifluoromethyl)cyclopropyl]methanone?
(2-chloro-2-fluorocyclopropyl)-[3-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-8-azabicyclo[3.2.1]oct-2-en-8-yl]methanone;(2-fluorocyclopropyl)-[3-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-8-azabicyclo[3.2.1]oct-2-en-8-yl]methanone;1-[3-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-8-azabicyclo[3.2.1]oct-2-en-8-yl]but-3-yn-1-one;[3-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-8-azabicyclo[3.2.1]oct-2-en-8-yl]-[1-(trifluoromethyl)cyclopropyl]methanone;[3-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-8-azabicyclo[3.2.1]oct-2-en-8-yl]-[2-(trifluoromethyl)cyclopropyl]methanone has a molecular weight of 1956.53 g/mol, XLogP of 14.35, 20 rotatable bonds, 5 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-2-fluorocyclopropyl)-[3-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-8-azabicyclo[3.2.1]oct-2-en-8-yl]methanone;(2-fluorocyclopropyl)-[3-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-8-azabicyclo[3.2.1]oct-2-en-8-yl]methanone;1-[3-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-8-azabicyclo[3.2.1]oct-2-en-8-yl]but-3-yn-1-one;[3-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-8-azabicyclo[3.2.1]oct-2-en-8-yl]-[1-(trifluoromethyl)cyclopropyl]methanone;[3-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-8-azabicyclo[3.2.1]oct-2-en-8-yl]-[2-(trifluoromethyl)cyclopropyl]methanone is sourced from PubChem (CID 167640105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).