3-[4-[[4-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]methyl]-3-hydroxypiperidin-1-yl]-4-hydroxybutan-2-one;1-[4-[[4-[ethyl-[(2-fluoro-4-pyrazol-1-ylphenyl)methyl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]methyl]-3-hydroxypiperidin-1-yl]propan-2-one;1-[3-fluoro-4-[[4-[3-[5-(trifluoromethyl)-2-pyridinyl]morpholin-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methyl]piperidin-1-yl]propan-2-one;1-[4-[[4-[3-[5-(trifluoromethyl)-2-pyridinyl]morpholin-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methyl]piperidin-1-yl]propan-2-one

C104H121F11N24O9 — CID 167568112

IUPAC3-[4-[[4-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]methyl]-3-hydroxypiperidin-1-yl]-4-hydroxybutan-2-one;1-[4-[[4-[ethyl-[(2-fluoro-4-pyrazol-1-ylphenyl)methyl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]methyl]-3-hydroxypiperidin-1-yl]propan-2-one;1-[3-fluoro-4-[[4-[3-[5-(trifluoromethyl)-2-pyridinyl]morpholin-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methyl]piperidin-1-yl]propan-2-one;1-[4-[[4-[3-[5-(trifluoromethyl)-2-pyridinyl]morpholin-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methyl]piperidin-1-yl]propan-2-one
SMILESCC(=O)C(CO)N1CCC(Cn2ccc3c(N(Cc4ccc(C(F)(F)F)cc4)C4CC4)ncnc32)C(O)C1.CC(=O)CN1CCC(Cn2ccc3c(N4CCOCC4c4ccc(C(F)(F)F)cn4)ncnc32)C(F)C1.CC(=O)CN1CCC(Cn2ccc3c(N4CCOCC4c4ccc(C(F)(F)F)cn4)ncnc32)CC1.CCN(Cc1ccc(-n2cccn2)cc1F)c1ncnc2c1ccn2CC1CCN(CC(C)=O)CC1O
InChIInChI=1S/C27H32F3N5O3.C27H32FN7O2.C25H28F4N6O2.C25H29F3N6O2/c1-17(37)23(15-36)33-10-8-19(24(38)14-33)13-34-11-9-22-25(34)31-16-32-26(22)35(21-6-7-21)12-18-2-4-20(5-3-18)27(28,29)30;1-3-33(15-20-5-6-22(13-24(20)28)35-10-4-9-31-35)26-23-8-12-34(27(23)30-18-29-26)16-21-7-11-32(14-19(2)36)17-25(21)37;1-16(36)11-33-6-4-17(20(26)13-33)12-34-7-5-19-23(34)31-15-32-24(19)35-8-9-37-14-22(35)21-3-2-18(10-30-21)25(27,28)29;1-17(35)13-32-7-4-18(5-8-32)14-33-9-6-20-23(33)30-16-31-24(20)34-10-11-36-15-22(34)21-3-2-19(12-29-21)25(26,27)28/h2-5,9,11,16,19,21,23-24,36,38H,6-8,10,12-15H2,1H3;4-6,8-10,12-13,18,21,25,37H,3,7,11,14-17H2,1-2H3;2-3,5,7,10,15,17,20,22H,4,6,8-9,11-14H2,1H3;2-3,6,9,12,16,18,22H,4-5,7-8,10-11,13-15H2,1H3
InChIKeyFNVVFFQZOFALJV-UHFFFAOYSA-N
MW2060.25 g/mol
LogP13.70
Rot. Bonds30

About 3-[4-[[4-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]methyl]-3-hydroxypiperidin-1-yl]-4-hydroxybutan-2-one;1-[4-[[4-[ethyl-[(2-fluoro-4-pyrazol-1-ylphenyl)methyl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]methyl]-3-hydroxypiperidin-1-yl]propan-2-one;1-[3-fluoro-4-[[4-[3-[5-(trifluoromethyl)-2-pyridinyl]morpholin-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methyl]piperidin-1-yl]propan-2-one;1-[4-[[4-[3-[5-(trifluoromethyl)-2-pyridinyl]morpholin-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methyl]piperidin-1-yl]propan-2-one

3-[4-[[4-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]methyl]-3-hydroxypiperidin-1-yl]-4-hydroxybutan-2-one;1-[4-[[4-[ethyl-[(2-fluoro-4-pyrazol-1-ylphenyl)methyl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]methyl]-3-hydroxypiperidin-1-yl]propan-2-one;1-[3-fluoro-4-[[4-[3-[5-(trifluoromethyl)-2-pyridinyl]morpholin-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methyl]piperidin-1-yl]propan-2-one;1-[4-[[4-[3-[5-(trifluoromethyl)-2-pyridinyl]morpholin-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methyl]piperidin-1-yl]propan-2-one (PubChem CID 167568112) has the molecular formula C104H121F11N24O9 and a molecular weight of 2060.25 g/mol. Its IUPAC name is 3-[4-[[4-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]methyl]-3-hydroxypiperidin-1-yl]-4-hydroxybutan-2-one;1-[4-[[4-[ethyl-[(2-fluoro-4-pyrazol-1-ylphenyl)methyl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]methyl]-3-hydroxypiperidin-1-yl]propan-2-one;1-[3-fluoro-4-[[4-[3-[5-(trifluoromethyl)-2-pyridinyl]morpholin-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methyl]piperidin-1-yl]propan-2-one;1-[4-[[4-[3-[5-(trifluoromethyl)-2-pyridinyl]morpholin-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methyl]piperidin-1-yl]propan-2-one.

Molecular Properties

Compound Name3-[4-[[4-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]methyl]-3-hydroxypiperidin-1-yl]-4-hydroxybutan-2-one;1-[4-[[4-[ethyl-[(2-fluoro-4-pyrazol-1-ylphenyl)methyl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]methyl]-3-hydroxypiperidin-1-yl]propan-2-one;1-[3-fluoro-4-[[4-[3-[5-(trifluoromethyl)-2-pyridinyl]morpholin-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methyl]piperidin-1-yl]propan-2-one;1-[4-[[4-[3-[5-(trifluoromethyl)-2-pyridinyl]morpholin-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methyl]piperidin-1-yl]propan-2-one
PubChem CID167568112
Molecular FormulaC104H121F11N24O9
Molecular Weight2060.25 g/mol
Exact Mass2058.96
IUPAC Name3-[4-[[4-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]methyl]-3-hydroxypiperidin-1-yl]-4-hydroxybutan-2-one;1-[4-[[4-[ethyl-[(2-fluoro-4-pyrazol-1-ylphenyl)methyl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]methyl]-3-hydroxypiperidin-1-yl]propan-2-one;1-[3-fluoro-4-[[4-[3-[5-(trifluoromethyl)-2-pyridinyl]morpholin-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methyl]piperidin-1-yl]propan-2-one;1-[4-[[4-[3-[5-(trifluoromethyl)-2-pyridinyl]morpholin-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methyl]piperidin-1-yl]propan-2-one
SMILESCC(=O)C(CO)N1CCC(Cn2ccc3c(N(Cc4ccc(C(F)(F)F)cc4)C4CC4)ncnc32)C(O)C1.CC(=O)CN1CCC(Cn2ccc3c(N4CCOCC4c4ccc(C(F)(F)F)cn4)ncnc32)C(F)C1.CC(=O)CN1CCC(Cn2ccc3c(N4CCOCC4c4ccc(C(F)(F)F)cn4)ncnc32)CC1.CCN(Cc1ccc(-n2cccn2)cc1F)c1ncnc2c1ccn2CC1CCN(CC(C)=O)CC1O
InChIInChI=1S/C27H32F3N5O3.C27H32FN7O2.C25H28F4N6O2.C25H29F3N6O2/c1-17(37)23(15-36)33-10-8-19(24(38)14-33)13-34-11-9-22-25(34)31-16-32-26(22)35(21-6-7-21)12-18-2-4-20(5-3-18)27(28,29)30;1-3-33(15-20-5-6-22(13-24(20)28)35-10-4-9-31-35)26-23-8-12-34(27(23)30-18-29-26)16-21-7-11-32(14-19(2)36)17-25(21)37;1-16(36)11-33-6-4-17(20(26)13-33)12-34-7-5-19-23(34)31-15-32-24(19)35-8-9-37-14-22(35)21-3-2-18(10-30-21)25(27,28)29;1-17(35)13-32-7-4-18(5-8-32)14-33-9-6-20-23(33)30-16-31-24(20)34-10-11-36-15-22(34)21-3-2-19(12-29-21)25(26,27)28/h2-5,9,11,16,19,21,23-24,36,38H,6-8,10,12-15H2,1H3;4-6,8-10,12-13,18,21,25,37H,3,7,11,14-17H2,1-2H3;2-3,5,7,10,15,17,20,22H,4,6,8-9,11-14H2,1H3;2-3,6,9,12,16,18,22H,4-5,7-8,10-11,13-15H2,1H3
InChIKeyFNVVFFQZOFALJV-UHFFFAOYSA-N
XLogP13.70
TPSA339.79 Ų
H-Bond Donors3
H-Bond Acceptors33
Rotatable Bonds30
Heavy Atoms148
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002060.25
LogP ≤ 513.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1033

Analyze 3-[4-[[4-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]methyl]-3-hydroxypiperidin-1-yl]-4-hydroxybutan-2-one;1-[4-[[4-[ethyl-[(2-fluoro-4-pyrazol-1-ylphenyl)methyl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]methyl]-3-hydroxypiperidin-1-yl]propan-2-one;1-[3-fluoro-4-[[4-[3-[5-(trifluoromethyl)-2-pyridinyl]morpholin-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methyl]piperidin-1-yl]propan-2-one;1-[4-[[4-[3-[5-(trifluoromethyl)-2-pyridinyl]morpholin-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methyl]piperidin-1-yl]propan-2-one with MolForge

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Related Compounds

1-[(3R)-4-[[4-[ethyl-[(2-fluoro-4-pyrazol-1-ylphenyl)methyl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]methyl]-3-hydroxypiperidin-1-yl]propan-2-one
CID 167568110
1-[4-[[6-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]purin-9-yl]methyl]-3-hydroxypiperidin-1-yl]propan-2-one;4-[[ethyl-[7-[[3-hydroxy-1-(2-oxopropyl)piperidin-4-yl]methyl]pyrrolo[2,3-d]pyrimidin-4-yl]amino]methyl]benzonitrile;1-[4-[[4-[ethyl-[(4-pyrazol-1-ylphenyl)methyl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]methyl]-3-hydroxypiperidin-1-yl]propan-2-one;1-[4-[[4-[ethyl-[[5-(trifluoromethyl)-2-pyridinyl]methyl]amino]-5-fluoropyrrolo[2,3-d]pyrimidin-7-yl]methyl]-3-hydroxypiperidin-1-yl]propan-2-one;1-[4-[[4-[ethyl-[[5-(trifluoromethyl)-2-pyridinyl]methyl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]methyl]-3-hydroxypiperidin-1-yl]propan-2-one
CID 167676071
1-[3-hydroxy-4-[[4-[3-[3-(trifluoromethyl)phenyl]morpholin-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methyl]piperidin-1-yl]propan-2-one
CID 167707847
1-[(3R,4R)-4-[[4-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]methyl]-3,4-dihydroxypiperidin-1-yl]propan-2-one;1-[(3R)-4-[[4-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]methyl]-3-fluoropiperidin-1-yl]propan-2-one;1-[(3R)-4-[[4-[cyclopropyl-[[5-(trifluoromethyl)-2-pyridinyl]methyl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]methyl]-3-fluoropiperidin-1-yl]propan-2-one;1-[(3R,4R)-4-[[4-[ethyl-[[4-(trifluoromethyl)phenyl]methyl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]methyl]-3,4-dihydroxypiperidin-1-yl]propan-2-one
CID 167630390
2-[4-[[4-[ethyl-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]methyl]-3-hydroxypiperidin-1-yl]acetamide
CID 156872059
2-[4-[[4-[cyclopropyl-[(4-pyrazol-1-ylphenyl)methyl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]methyl]-3-hydroxypiperidin-1-yl]acetamide
CID 156872188
2-[(3R)-4-[[4-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]methyl]-3-hydroxypiperidin-1-yl]acetamide
CID 156872063
2-[(3R)-3-hydroxy-4-[[4-[(3S)-3-[4-(trifluoromethyl)phenyl]morpholin-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methyl]piperidin-1-yl]acetamide
CID 166779269
methyl 2-[4-[[4-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]methyl]piperidin-1-yl]-3-hydroxypropanoate
CID 156872010
1-[4-[[4-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrrolo[2,3-d]pyrimidin-7-yl]methyl]-3-hydroxypiperidin-1-yl]propan-2-one
CID 167552906
2-[(3S,4S)-3-hydroxy-4-[[4-[(3S)-3-[3-(trifluoromethyl)phenyl]morpholin-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methyl]piperidin-1-yl]acetamide
CID 166026928
2-[(3S,4S)-3-hydroxy-4-[[4-[(3R)-3-[3-(trifluoromethyl)phenyl]morpholin-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methyl]piperidin-1-yl]acetamide
CID 166026958

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[4-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]methyl]-3-hydroxypiperidin-1-yl]-4-hydroxybutan-2-one;1-[4-[[4-[ethyl-[(2-fluoro-4-pyrazol-1-ylphenyl)methyl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]methyl]-3-hydroxypiperidin-1-yl]propan-2-one;1-[3-fluoro-4-[[4-[3-[5-(trifluoromethyl)-2-pyridinyl]morpholin-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methyl]piperidin-1-yl]propan-2-one;1-[4-[[4-[3-[5-(trifluoromethyl)-2-pyridinyl]morpholin-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methyl]piperidin-1-yl]propan-2-one?
The IUPAC name of 3-[4-[[4-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]methyl]-3-hydroxypiperidin-1-yl]-4-hydroxybutan-2-one;1-[4-[[4-[ethyl-[(2-fluoro-4-pyrazol-1-ylphenyl)methyl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]methyl]-3-hydroxypiperidin-1-yl]propan-2-one;1-[3-fluoro-4-[[4-[3-[5-(trifluoromethyl)-2-pyridinyl]morpholin-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methyl]piperidin-1-yl]propan-2-one;1-[4-[[4-[3-[5-(trifluoromethyl)-2-pyridinyl]morpholin-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methyl]piperidin-1-yl]propan-2-one (CID 167568112) is 3-[4-[[4-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]methyl]-3-hydroxypiperidin-1-yl]-4-hydroxybutan-2-one;1-[4-[[4-[ethyl-[(2-fluoro-4-pyrazol-1-ylphenyl)methyl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]methyl]-3-hydroxypiperidin-1-yl]propan-2-one;1-[3-fluoro-4-[[4-[3-[5-(trifluoromethyl)-2-pyridinyl]morpholin-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methyl]piperidin-1-yl]propan-2-one;1-[4-[[4-[3-[5-(trifluoromethyl)-2-pyridinyl]morpholin-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methyl]piperidin-1-yl]propan-2-one.
What is the SMILES notation for 3-[4-[[4-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]methyl]-3-hydroxypiperidin-1-yl]-4-hydroxybutan-2-one;1-[4-[[4-[ethyl-[(2-fluoro-4-pyrazol-1-ylphenyl)methyl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]methyl]-3-hydroxypiperidin-1-yl]propan-2-one;1-[3-fluoro-4-[[4-[3-[5-(trifluoromethyl)-2-pyridinyl]morpholin-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methyl]piperidin-1-yl]propan-2-one;1-[4-[[4-[3-[5-(trifluoromethyl)-2-pyridinyl]morpholin-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methyl]piperidin-1-yl]propan-2-one?
The canonical SMILES for 3-[4-[[4-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]methyl]-3-hydroxypiperidin-1-yl]-4-hydroxybutan-2-one;1-[4-[[4-[ethyl-[(2-fluoro-4-pyrazol-1-ylphenyl)methyl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]methyl]-3-hydroxypiperidin-1-yl]propan-2-one;1-[3-fluoro-4-[[4-[3-[5-(trifluoromethyl)-2-pyridinyl]morpholin-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methyl]piperidin-1-yl]propan-2-one;1-[4-[[4-[3-[5-(trifluoromethyl)-2-pyridinyl]morpholin-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methyl]piperidin-1-yl]propan-2-one is CC(=O)C(CO)N1CCC(Cn2ccc3c(N(Cc4ccc(C(F)(F)F)cc4)C4CC4)ncnc32)C(O)C1.CC(=O)CN1CCC(Cn2ccc3c(N4CCOCC4c4ccc(C(F)(F)F)cn4)ncnc32)C(F)C1.CC(=O)CN1CCC(Cn2ccc3c(N4CCOCC4c4ccc(C(F)(F)F)cn4)ncnc32)CC1.CCN(Cc1ccc(-n2cccn2)cc1F)c1ncnc2c1ccn2CC1CCN(CC(C)=O)CC1O.
What is the InChIKey of 3-[4-[[4-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]methyl]-3-hydroxypiperidin-1-yl]-4-hydroxybutan-2-one;1-[4-[[4-[ethyl-[(2-fluoro-4-pyrazol-1-ylphenyl)methyl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]methyl]-3-hydroxypiperidin-1-yl]propan-2-one;1-[3-fluoro-4-[[4-[3-[5-(trifluoromethyl)-2-pyridinyl]morpholin-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methyl]piperidin-1-yl]propan-2-one;1-[4-[[4-[3-[5-(trifluoromethyl)-2-pyridinyl]morpholin-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methyl]piperidin-1-yl]propan-2-one?
The InChIKey is FNVVFFQZOFALJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32F3N5O3.C27H32FN7O2.C25H28F4N6O2.C25H29F3N6O2/c1-17(37)23(15-36)33-10-8-19(24(38)14-33)13-34-11-9-22-25(34)31-16-32-26(22)35(21-6-7-21)12-18-2-4-20(5-3-18)27(28,29)30;1-3-33(15-20-5-6-22(13-24(20)28)35-10-4-9-31-35)26-23-8-12-34(27(23)30-18-29-26)16-21-7-11-32(14-19(2)36)17-25(21)37;1-16(36)11-33-6-4-17(20(26)13-33)12-34-7-5-19-23(34)31-15-32-24(19)35-8-9-37-14-22(35)21-3-2-18(10-30-21)25(27,28)29;1-17(35)13-32-7-4-18(5-8-32)14-33-9-6-20-23(33)30-16-31-24(20)34-10-11-36-15-22(34)21-3-2-19(12-29-21)25(26,27)28/h2-5,9,11,16,19,21,23-24,36,38H,6-8,10,12-15H2,1H3;4-6,8-10,12-13,18,21,25,37H,3,7,11,14-17H2,1-2H3;2-3,5,7,10,15,17,20,22H,4,6,8-9,11-14H2,1H3;2-3,6,9,12,16,18,22H,4-5,7-8,10-11,13-15H2,1H3.
What are the key properties of 3-[4-[[4-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]methyl]-3-hydroxypiperidin-1-yl]-4-hydroxybutan-2-one;1-[4-[[4-[ethyl-[(2-fluoro-4-pyrazol-1-ylphenyl)methyl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]methyl]-3-hydroxypiperidin-1-yl]propan-2-one;1-[3-fluoro-4-[[4-[3-[5-(trifluoromethyl)-2-pyridinyl]morpholin-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methyl]piperidin-1-yl]propan-2-one;1-[4-[[4-[3-[5-(trifluoromethyl)-2-pyridinyl]morpholin-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methyl]piperidin-1-yl]propan-2-one?
3-[4-[[4-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]methyl]-3-hydroxypiperidin-1-yl]-4-hydroxybutan-2-one;1-[4-[[4-[ethyl-[(2-fluoro-4-pyrazol-1-ylphenyl)methyl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]methyl]-3-hydroxypiperidin-1-yl]propan-2-one;1-[3-fluoro-4-[[4-[3-[5-(trifluoromethyl)-2-pyridinyl]morpholin-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methyl]piperidin-1-yl]propan-2-one;1-[4-[[4-[3-[5-(trifluoromethyl)-2-pyridinyl]morpholin-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methyl]piperidin-1-yl]propan-2-one has a molecular weight of 2060.25 g/mol, XLogP of 13.70, 30 rotatable bonds, 3 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[4-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]methyl]-3-hydroxypiperidin-1-yl]-4-hydroxybutan-2-one;1-[4-[[4-[ethyl-[(2-fluoro-4-pyrazol-1-ylphenyl)methyl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]methyl]-3-hydroxypiperidin-1-yl]propan-2-one;1-[3-fluoro-4-[[4-[3-[5-(trifluoromethyl)-2-pyridinyl]morpholin-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methyl]piperidin-1-yl]propan-2-one;1-[4-[[4-[3-[5-(trifluoromethyl)-2-pyridinyl]morpholin-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methyl]piperidin-1-yl]propan-2-one is sourced from PubChem (CID 167568112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).