3-[1-[5-[[1-(1-acetylpiperidin-4-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;N-cyclopropyl-2-fluoro-4-methyl-5-[1-[5-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]pyrazol-4-yl]benzamide;N-cyclopropyl-3-[1-[5-[[1-(1-hydroxypropan-2-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide

C83H102FN19O5 — CID 159773278

IUPAC3-[1-[5-[[1-(1-acetylpiperidin-4-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;N-cyclopropyl-2-fluoro-4-methyl-5-[1-[5-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]pyrazol-4-yl]benzamide;N-cyclopropyl-3-[1-[5-[[1-(1-hydroxypropan-2-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide
SMILESCC(=O)N1CCC(N2CCC(Nc3cncc(-n4cc(-c5cc(C(=O)NC6CC6)ccc5C)cn4)c3)CC2)CC1.Cc1cc(F)c(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(NC3CCN(C)CC3)c2)c1.Cc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(NC3CCN(C(C)CO)CC3)c2)c1
InChIInChI=1S/C31H39N7O2.C27H34N6O2.C25H29FN6O/c1-21-3-4-23(31(40)35-25-5-6-25)15-30(21)24-17-33-38(20-24)29-16-27(18-32-19-29)34-26-7-11-37(12-8-26)28-9-13-36(14-10-28)22(2)39;1-18-3-4-20(27(35)31-22-5-6-22)11-26(18)21-13-29-33(16-21)25-12-24(14-28-15-25)30-23-7-9-32(10-8-23)19(2)17-34;1-16-9-24(26)23(25(33)30-18-3-4-18)11-22(16)17-12-28-32(15-17)21-10-20(13-27-14-21)29-19-5-7-31(2)8-6-19/h3-4,15-20,25-26,28,34H,5-14H2,1-2H3,(H,35,40);3-4,11-16,19,22-23,30,34H,5-10,17H2,1-2H3,(H,31,35);9-15,18-19,29H,3-8H2,1-2H3,(H,30,33)
InChIKeyNGJZNPNBYIBJCD-UHFFFAOYSA-N
MW1464.85 g/mol
LogP11.19
Rot. Bonds21

About 3-[1-[5-[[1-(1-acetylpiperidin-4-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;N-cyclopropyl-2-fluoro-4-methyl-5-[1-[5-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]pyrazol-4-yl]benzamide;N-cyclopropyl-3-[1-[5-[[1-(1-hydroxypropan-2-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide

3-[1-[5-[[1-(1-acetylpiperidin-4-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;N-cyclopropyl-2-fluoro-4-methyl-5-[1-[5-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]pyrazol-4-yl]benzamide;N-cyclopropyl-3-[1-[5-[[1-(1-hydroxypropan-2-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide (PubChem CID 159773278) has the molecular formula C83H102FN19O5 and a molecular weight of 1464.85 g/mol. Its IUPAC name is 3-[1-[5-[[1-(1-acetylpiperidin-4-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;N-cyclopropyl-2-fluoro-4-methyl-5-[1-[5-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]pyrazol-4-yl]benzamide;N-cyclopropyl-3-[1-[5-[[1-(1-hydroxypropan-2-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide.

Molecular Properties

Compound Name3-[1-[5-[[1-(1-acetylpiperidin-4-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;N-cyclopropyl-2-fluoro-4-methyl-5-[1-[5-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]pyrazol-4-yl]benzamide;N-cyclopropyl-3-[1-[5-[[1-(1-hydroxypropan-2-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide
PubChem CID159773278
Molecular FormulaC83H102FN19O5
Molecular Weight1464.85 g/mol
Exact Mass1463.83
IUPAC Name3-[1-[5-[[1-(1-acetylpiperidin-4-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;N-cyclopropyl-2-fluoro-4-methyl-5-[1-[5-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]pyrazol-4-yl]benzamide;N-cyclopropyl-3-[1-[5-[[1-(1-hydroxypropan-2-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide
SMILESCC(=O)N1CCC(N2CCC(Nc3cncc(-n4cc(-c5cc(C(=O)NC6CC6)ccc5C)cn4)c3)CC2)CC1.Cc1cc(F)c(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(NC3CCN(C)CC3)c2)c1.Cc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(NC3CCN(C(C)CO)CC3)c2)c1
InChIInChI=1S/C31H39N7O2.C27H34N6O2.C25H29FN6O/c1-21-3-4-23(31(40)35-25-5-6-25)15-30(21)24-17-33-38(20-24)29-16-27(18-32-19-29)34-26-7-11-37(12-8-26)28-9-13-36(14-10-28)22(2)39;1-18-3-4-20(27(35)31-22-5-6-22)11-26(18)21-13-29-33(16-21)25-12-24(14-28-15-25)30-23-7-9-32(10-8-23)19(2)17-34;1-16-9-24(26)23(25(33)30-18-3-4-18)11-22(16)17-12-28-32(15-17)21-10-20(13-27-14-21)29-19-5-7-31(2)8-6-19/h3-4,15-20,25-26,28,34H,5-14H2,1-2H3,(H,35,40);3-4,11-16,19,22-23,30,34H,5-10,17H2,1-2H3,(H,31,35);9-15,18-19,29H,3-8H2,1-2H3,(H,30,33)
InChIKeyNGJZNPNBYIBJCD-UHFFFAOYSA-N
XLogP11.19
TPSA265.78 Ų
H-Bond Donors7
H-Bond Acceptors20
Rotatable Bonds21
Heavy Atoms108
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001464.85
LogP ≤ 511.19
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1020

Analyze 3-[1-[5-[[1-(1-acetylpiperidin-4-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;N-cyclopropyl-2-fluoro-4-methyl-5-[1-[5-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]pyrazol-4-yl]benzamide;N-cyclopropyl-3-[1-[5-[[1-(1-hydroxypropan-2-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide with MolForge

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Related Compounds

US10138222, Example 75
CID 134325358
US10138222, Example 74
CID 134325461
US10138222, Example 153
CID 134325348
US10138222, Example 157
CID 134325387
4-tert-butyl-N-cyclohexyl-N-(2-hydroxyethyl)benzamide;(4-tert-butyl-3-fluorophenyl)-morpholin-4-ylmethanone;4-tert-butyl-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]benzamide;(4-tert-butylphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone;(4-tert-butylphenyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone;(4-tert-butylphenyl)-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone;(4-tert-butylphenyl)-(4-methoxypiperidin-1-yl)methanone;[4-tert-butyl-2-(trifluoromethyl)phenyl]-morpholin-4-ylmethanone
CID 159156999
3-[1-(5-amino-3-pyridinyl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;N-cyclopropyl-5-[1-[5-[[(4S)-3,3-difluoro-1-methylpiperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide;N-cyclopropyl-2-fluoro-5-[1-[5-[[1-(2-fluoroethyl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide
CID 159456940
4-chloro-N-cyclopropyl-2-fluoro-5-[1-[5-[[(3R,4S)-3-methoxy-1-methylpiperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide;N-cyclopropyl-5-[1-[5-[[(4S)-3,3-difluoro-1-methylpiperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide;N-cyclopropyl-5-[1-[5-[[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide;N-cyclopropyl-2-fluoro-5-[1-[5-[[1-(2-fluoroethyl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide
CID 160627756
N-cyclopropyl-3-[1-[5-(cyclopropylcarbamoylamino)-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-5-[1-[5-[[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide;N-cyclopropyl-4-methyl-3-[1-[5-(methylcarbamoylamino)-3-pyridinyl]pyrazol-4-yl]benzamide
CID 161089712
tert-butyl 4-amino-3,3-difluoropiperidine-1-carboxylate;tert-butyl 4-[[5-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]-3-pyridinyl]methyl]-3,3-difluoropiperidine-1-carboxylate;N-cyclopropyl-5-[1-[5-[[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]methyl]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide;N-cyclopropyl-5-[1-[5-[[(4S)-3,3-difluoro-1-methylpiperidin-4-yl]methyl]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide;N-cyclopropyl-5-[1-[5-[(3,3-difluoropiperidin-4-yl)methyl]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide;N-cyclopropyl-2-fluoro-4-methyl-5-[1-(5-methyl-3-pyridinyl)pyrazol-4-yl]benzamide
CID 161361485
N-cyclopropyl-5-[1-[5-[[(4S)-3,3-difluoro-1-methylpiperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide;N-cyclopropyl-5-[1-[5-[[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide
CID 161732894
N-cyclopropyl-5-[1-[5-[[(4S)-3,3-difluoro-1-methylpiperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide;N-cyclopropyl-5-[1-[5-[[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide;N-cyclopropyl-2-fluoro-5-[1-[5-[[1-(2-fluoroethyl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide
CID 161789183
tert-butyl 4-[[5-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazol-1-yl]-3-pyridinyl]methyl]piperidine-1-carboxylate;N-cyclopropyl-4-methyl-3-[1-[5-(piperidin-4-ylmethyl)-3-pyridinyl]pyrazol-4-yl]benzamide;dihydrochloride
CID 157241779

Frequently Asked Questions

What is the IUPAC name of 3-[1-[5-[[1-(1-acetylpiperidin-4-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;N-cyclopropyl-2-fluoro-4-methyl-5-[1-[5-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]pyrazol-4-yl]benzamide;N-cyclopropyl-3-[1-[5-[[1-(1-hydroxypropan-2-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide?
The IUPAC name of 3-[1-[5-[[1-(1-acetylpiperidin-4-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;N-cyclopropyl-2-fluoro-4-methyl-5-[1-[5-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]pyrazol-4-yl]benzamide;N-cyclopropyl-3-[1-[5-[[1-(1-hydroxypropan-2-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide (CID 159773278) is 3-[1-[5-[[1-(1-acetylpiperidin-4-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;N-cyclopropyl-2-fluoro-4-methyl-5-[1-[5-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]pyrazol-4-yl]benzamide;N-cyclopropyl-3-[1-[5-[[1-(1-hydroxypropan-2-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide.
What is the SMILES notation for 3-[1-[5-[[1-(1-acetylpiperidin-4-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;N-cyclopropyl-2-fluoro-4-methyl-5-[1-[5-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]pyrazol-4-yl]benzamide;N-cyclopropyl-3-[1-[5-[[1-(1-hydroxypropan-2-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide?
The canonical SMILES for 3-[1-[5-[[1-(1-acetylpiperidin-4-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;N-cyclopropyl-2-fluoro-4-methyl-5-[1-[5-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]pyrazol-4-yl]benzamide;N-cyclopropyl-3-[1-[5-[[1-(1-hydroxypropan-2-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide is CC(=O)N1CCC(N2CCC(Nc3cncc(-n4cc(-c5cc(C(=O)NC6CC6)ccc5C)cn4)c3)CC2)CC1.Cc1cc(F)c(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(NC3CCN(C)CC3)c2)c1.Cc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(NC3CCN(C(C)CO)CC3)c2)c1.
What is the InChIKey of 3-[1-[5-[[1-(1-acetylpiperidin-4-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;N-cyclopropyl-2-fluoro-4-methyl-5-[1-[5-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]pyrazol-4-yl]benzamide;N-cyclopropyl-3-[1-[5-[[1-(1-hydroxypropan-2-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide?
The InChIKey is NGJZNPNBYIBJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H39N7O2.C27H34N6O2.C25H29FN6O/c1-21-3-4-23(31(40)35-25-5-6-25)15-30(21)24-17-33-38(20-24)29-16-27(18-32-19-29)34-26-7-11-37(12-8-26)28-9-13-36(14-10-28)22(2)39;1-18-3-4-20(27(35)31-22-5-6-22)11-26(18)21-13-29-33(16-21)25-12-24(14-28-15-25)30-23-7-9-32(10-8-23)19(2)17-34;1-16-9-24(26)23(25(33)30-18-3-4-18)11-22(16)17-12-28-32(15-17)21-10-20(13-27-14-21)29-19-5-7-31(2)8-6-19/h3-4,15-20,25-26,28,34H,5-14H2,1-2H3,(H,35,40);3-4,11-16,19,22-23,30,34H,5-10,17H2,1-2H3,(H,31,35);9-15,18-19,29H,3-8H2,1-2H3,(H,30,33).
What are the key properties of 3-[1-[5-[[1-(1-acetylpiperidin-4-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;N-cyclopropyl-2-fluoro-4-methyl-5-[1-[5-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]pyrazol-4-yl]benzamide;N-cyclopropyl-3-[1-[5-[[1-(1-hydroxypropan-2-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide?
3-[1-[5-[[1-(1-acetylpiperidin-4-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;N-cyclopropyl-2-fluoro-4-methyl-5-[1-[5-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]pyrazol-4-yl]benzamide;N-cyclopropyl-3-[1-[5-[[1-(1-hydroxypropan-2-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide has a molecular weight of 1464.85 g/mol, XLogP of 11.19, 21 rotatable bonds, 7 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[5-[[1-(1-acetylpiperidin-4-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;N-cyclopropyl-2-fluoro-4-methyl-5-[1-[5-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]pyrazol-4-yl]benzamide;N-cyclopropyl-3-[1-[5-[[1-(1-hydroxypropan-2-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide is sourced from PubChem (CID 159773278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).