(2-amino-3-pyridinyl)-[6-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(2-fluoro-2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3R)-3-phenylpiperazin-1-yl]-3-prop-1-ynyl-2-pyridinyl]methanone;molecular hydrogen

C62H82F7N15O3 — CID 157447354

IUPAC(2-amino-3-pyridinyl)-[6-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(2-fluoro-2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3R)-3-phenylpiperazin-1-yl]-3-prop-1-ynyl-2-pyridinyl]methanone;molecular hydrogen
SMILESCC#Cc1ccc(N2CCN[C@H](c3ccccc3)C2)nc1C(=O)c1cccnc1N.CC(C)(F)CC1CN(c2ccc(C(F)(F)F)c(C(=O)c3cccnc3N)n2)CCN1.Nc1ncccc1C(=O)c1nc(N2CC3CCC(C2)N3)ccc1C(F)(F)F.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C24H23N5O.C20H23F4N5O.C18H18F3N5O.9H2/c1-2-7-18-11-12-21(28-22(18)23(30)19-10-6-13-27-24(19)25)29-15-14-26-20(16-29)17-8-4-3-5-9-17;1-19(2,21)10-12-11-29(9-8-26-12)15-6-5-14(20(22,23)24)16(28-15)17(30)13-4-3-7-27-18(13)25;19-18(20,21)13-5-6-14(26-8-10-3-4-11(9-26)24-10)25-15(13)16(27)12-2-1-7-23-17(12)22;;;;;;;;;/h3-6,8-13,20,26H,14-16H2,1H3,(H2,25,27);3-7,12,26H,8-11H2,1-2H3,(H2,25,27);1-2,5-7,10-11,24H,3-4,8-9H2,(H2,22,23);9*1H/t20-;;;;;;;;;;;/m0.........../s1
InChIKeyBSJNQIWPPLITBJ-CBTNNGBVSA-N
MW1218.43 g/mol
LogP10.50
Rot. Bonds12

About (2-amino-3-pyridinyl)-[6-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(2-fluoro-2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3R)-3-phenylpiperazin-1-yl]-3-prop-1-ynyl-2-pyridinyl]methanone;molecular hydrogen

(2-amino-3-pyridinyl)-[6-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(2-fluoro-2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3R)-3-phenylpiperazin-1-yl]-3-prop-1-ynyl-2-pyridinyl]methanone;molecular hydrogen (PubChem CID 157447354) has the molecular formula C62H82F7N15O3 and a molecular weight of 1218.43 g/mol. Its IUPAC name is (2-amino-3-pyridinyl)-[6-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(2-fluoro-2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3R)-3-phenylpiperazin-1-yl]-3-prop-1-ynyl-2-pyridinyl]methanone;molecular hydrogen.

Molecular Properties

Compound Name(2-amino-3-pyridinyl)-[6-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(2-fluoro-2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3R)-3-phenylpiperazin-1-yl]-3-prop-1-ynyl-2-pyridinyl]methanone;molecular hydrogen
PubChem CID157447354
Molecular FormulaC62H82F7N15O3
Molecular Weight1218.43 g/mol
Exact Mass1217.66
IUPAC Name(2-amino-3-pyridinyl)-[6-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(2-fluoro-2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3R)-3-phenylpiperazin-1-yl]-3-prop-1-ynyl-2-pyridinyl]methanone;molecular hydrogen
SMILESCC#Cc1ccc(N2CCN[C@H](c3ccccc3)C2)nc1C(=O)c1cccnc1N.CC(C)(F)CC1CN(c2ccc(C(F)(F)F)c(C(=O)c3cccnc3N)n2)CCN1.Nc1ncccc1C(=O)c1nc(N2CC3CCC(C2)N3)ccc1C(F)(F)F.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C24H23N5O.C20H23F4N5O.C18H18F3N5O.9H2/c1-2-7-18-11-12-21(28-22(18)23(30)19-10-6-13-27-24(19)25)29-15-14-26-20(16-29)17-8-4-3-5-9-17;1-19(2,21)10-12-11-29(9-8-26-12)15-6-5-14(20(22,23)24)16(28-15)17(30)13-4-3-7-27-18(13)25;19-18(20,21)13-5-6-14(26-8-10-3-4-11(9-26)24-10)25-15(13)16(27)12-2-1-7-23-17(12)22;;;;;;;;;/h3-6,8-13,20,26H,14-16H2,1H3,(H2,25,27);3-7,12,26H,8-11H2,1-2H3,(H2,25,27);1-2,5-7,10-11,24H,3-4,8-9H2,(H2,22,23);9*1H/t20-;;;;;;;;;;;/m0.........../s1
InChIKeyBSJNQIWPPLITBJ-CBTNNGBVSA-N
XLogP10.50
TPSA252.42 Ų
H-Bond Donors6
H-Bond Acceptors18
Rotatable Bonds12
Heavy Atoms87
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001218.43
LogP ≤ 510.50
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze (2-amino-3-pyridinyl)-[6-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(2-fluoro-2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3R)-3-phenylpiperazin-1-yl]-3-prop-1-ynyl-2-pyridinyl]methanone;molecular hydrogen with MolForge

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Launch Full Analysis

Related Compounds

(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-phenyl-2-pyridinyl]methanone
CID 57690545
(2-amino-3-pyridinyl)-[6-[(3R)-3-methylpiperazin-1-yl]-2-pyridinyl]methanone
CID 24993787
(2-amino-3-pyridinyl)-[6-[(3S)-3-methylpiperazin-1-yl]-2-pyridinyl]methanone
CID 24994105
(S)-(2-aminopyridin-3-yl)(6-(3-isobutylpiperazin-1-yl)-3-(trifluoromethyl)pyridin-2-yl)methanone
CID 24995659
(2-amino-3-pyridinyl)-[6-[(3S)-3-phenylpiperazin-1-yl]-2-pyridinyl]methanone
CID 57690468
(2-amino-3-pyridinyl)-[6-[(3R)-3-phenylpiperazin-1-yl]-2-pyridinyl]methanone
CID 57690683
(2-amino-3-pyridinyl)-[3-benzyl-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone
CID 57690850
[2-(4-Methylpiperazin-1-yl)phenyl]-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]methanone
CID 119098945
[4-[[5-[4-Methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]-pyridin-3-ylmethanone
CID 119099019
[4-[[5-[4-Methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]-pyridin-2-ylmethanone
CID 119099029
(2-Aminopyridin-3-yl)-[3-(difluoromethyl)-6-(3-phenylpiperazin-1-yl)pyridin-2-yl]methanone
CID 24994414
(2-Aminopyridin-3-yl)-[6-[3-(3-methylphenyl)piperazin-1-yl]-3-(trifluoromethyl)pyridin-2-yl]methanone
CID 24994723

Frequently Asked Questions

What is the IUPAC name of (2-amino-3-pyridinyl)-[6-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(2-fluoro-2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3R)-3-phenylpiperazin-1-yl]-3-prop-1-ynyl-2-pyridinyl]methanone;molecular hydrogen?
The IUPAC name of (2-amino-3-pyridinyl)-[6-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(2-fluoro-2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3R)-3-phenylpiperazin-1-yl]-3-prop-1-ynyl-2-pyridinyl]methanone;molecular hydrogen (CID 157447354) is (2-amino-3-pyridinyl)-[6-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(2-fluoro-2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3R)-3-phenylpiperazin-1-yl]-3-prop-1-ynyl-2-pyridinyl]methanone;molecular hydrogen.
What is the SMILES notation for (2-amino-3-pyridinyl)-[6-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(2-fluoro-2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3R)-3-phenylpiperazin-1-yl]-3-prop-1-ynyl-2-pyridinyl]methanone;molecular hydrogen?
The canonical SMILES for (2-amino-3-pyridinyl)-[6-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(2-fluoro-2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3R)-3-phenylpiperazin-1-yl]-3-prop-1-ynyl-2-pyridinyl]methanone;molecular hydrogen is CC#Cc1ccc(N2CCN[C@H](c3ccccc3)C2)nc1C(=O)c1cccnc1N.CC(C)(F)CC1CN(c2ccc(C(F)(F)F)c(C(=O)c3cccnc3N)n2)CCN1.Nc1ncccc1C(=O)c1nc(N2CC3CCC(C2)N3)ccc1C(F)(F)F.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of (2-amino-3-pyridinyl)-[6-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(2-fluoro-2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3R)-3-phenylpiperazin-1-yl]-3-prop-1-ynyl-2-pyridinyl]methanone;molecular hydrogen?
The InChIKey is BSJNQIWPPLITBJ-CBTNNGBVSA-N. The full InChI is InChI=1S/C24H23N5O.C20H23F4N5O.C18H18F3N5O.9H2/c1-2-7-18-11-12-21(28-22(18)23(30)19-10-6-13-27-24(19)25)29-15-14-26-20(16-29)17-8-4-3-5-9-17;1-19(2,21)10-12-11-29(9-8-26-12)15-6-5-14(20(22,23)24)16(28-15)17(30)13-4-3-7-27-18(13)25;19-18(20,21)13-5-6-14(26-8-10-3-4-11(9-26)24-10)25-15(13)16(27)12-2-1-7-23-17(12)22;;;;;;;;;/h3-6,8-13,20,26H,14-16H2,1H3,(H2,25,27);3-7,12,26H,8-11H2,1-2H3,(H2,25,27);1-2,5-7,10-11,24H,3-4,8-9H2,(H2,22,23);9*1H/t20-;;;;;;;;;;;/m0.........../s1.
What are the key properties of (2-amino-3-pyridinyl)-[6-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(2-fluoro-2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3R)-3-phenylpiperazin-1-yl]-3-prop-1-ynyl-2-pyridinyl]methanone;molecular hydrogen?
(2-amino-3-pyridinyl)-[6-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(2-fluoro-2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3R)-3-phenylpiperazin-1-yl]-3-prop-1-ynyl-2-pyridinyl]methanone;molecular hydrogen has a molecular weight of 1218.43 g/mol, XLogP of 10.50, 12 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3-pyridinyl)-[6-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(2-fluoro-2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3R)-3-phenylpiperazin-1-yl]-3-prop-1-ynyl-2-pyridinyl]methanone;molecular hydrogen is sourced from PubChem (CID 157447354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).