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

C70H76F5N17O3 — CID 159456940

IUPAC3-[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
SMILESCc1cc(F)c(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(NC3CCN(CCF)CC3)c2)c1.Cc1cc(F)c(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(N[C@H]3CCN(C)CC3(F)F)c2)c1.Cc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(N)c2)c1
InChIInChI=1S/C26H30F2N6O.C25H27F3N6O.C19H19N5O/c1-17-10-25(28)24(26(35)32-19-2-3-19)12-23(17)18-13-30-34(16-18)22-11-21(14-29-15-22)31-20-4-7-33(8-5-20)9-6-27;1-15-7-22(26)21(24(35)32-17-3-4-17)9-20(15)16-10-30-34(13-16)19-8-18(11-29-12-19)31-23-5-6-33(2)14-25(23,27)28;1-12-2-3-13(19(25)23-16-4-5-16)6-18(12)14-8-22-24(11-14)17-7-15(20)9-21-10-17/h10-16,19-20,31H,2-9H2,1H3,(H,32,35);7-13,17,23,31H,3-6,14H2,1-2H3,(H,32,35);2-3,6-11,16H,4-5,20H2,1H3,(H,23,25)/t;23-;/m.0./s1
InChIKeyLUCCTNRNXKDITO-UUPOELIGSA-N
MW1298.48 g/mol
LogP10.86
Rot. Bonds18

About 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

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 (PubChem CID 159456940) has the molecular formula C70H76F5N17O3 and a molecular weight of 1298.48 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[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
PubChem CID159456940
Molecular FormulaC70H76F5N17O3
Molecular Weight1298.48 g/mol
Exact Mass1297.62
IUPAC Name3-[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
SMILESCc1cc(F)c(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(NC3CCN(CCF)CC3)c2)c1.Cc1cc(F)c(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(N[C@H]3CCN(C)CC3(F)F)c2)c1.Cc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(N)c2)c1
InChIInChI=1S/C26H30F2N6O.C25H27F3N6O.C19H19N5O/c1-17-10-25(28)24(26(35)32-19-2-3-19)12-23(17)18-13-30-34(16-18)22-11-21(14-29-15-22)31-20-4-7-33(8-5-20)9-6-27;1-15-7-22(26)21(24(35)32-17-3-4-17)9-20(15)16-10-30-34(13-16)19-8-18(11-29-12-19)31-23-5-6-33(2)14-25(23,27)28;1-12-2-3-13(19(25)23-16-4-5-16)6-18(12)14-8-22-24(11-14)17-7-15(20)9-21-10-17/h10-16,19-20,31H,2-9H2,1H3,(H,32,35);7-13,17,23,31H,3-6,14H2,1-2H3,(H,32,35);2-3,6-11,16H,4-5,20H2,1H3,(H,23,25)/t;23-;/m.0./s1
InChIKeyLUCCTNRNXKDITO-UUPOELIGSA-N
XLogP10.86
TPSA235.99 Ų
H-Bond Donors6
H-Bond Acceptors17
Rotatable Bonds18
Heavy Atoms95
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001298.48
LogP ≤ 510.86
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1017

Analyze 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 with MolForge

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Related Compounds

N-(5-(1-aminoethyl)-6''-phenyl-[2,3''-bipyridin]-5''-yl)-2-fluoro-5-(1-methyl-1H-pyrazol-3-yl)-4-(trifluoromethyl)benzamide
CID 118411443
2-fluoro-5-(1-methylpyrazol-3-yl)-N-[5-(5-oxopyrrolidin-2-yl)-2-phenylpyridin-3-yl]-4-(trifluoromethyl)benzamide
CID 118411455
US10138222, Example 77
CID 134325344
US10138222, Example 174
CID 134325440
US10138222, Example 175
CID 134325451
US10138222, Example 176
CID 134325497
US10138222, Example 169
CID 134335691
US10138222, Example 170
CID 134335692
US10138222, Example 171
CID 134335693
US10138222, Example 158
CID 134325332
US10138222, Example 140
CID 134325391
US10138222, Example 125
CID 134325401

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(F)c(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(NC3CCN(CCF)CC3)c2)c1.Cc1cc(F)c(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(N[C@H]3CCN(C)CC3(F)F)c2)c1.Cc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(N)c2)c1.
What is the InChIKey of 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?
The InChIKey is LUCCTNRNXKDITO-UUPOELIGSA-N. The full InChI is InChI=1S/C26H30F2N6O.C25H27F3N6O.C19H19N5O/c1-17-10-25(28)24(26(35)32-19-2-3-19)12-23(17)18-13-30-34(16-18)22-11-21(14-29-15-22)31-20-4-7-33(8-5-20)9-6-27;1-15-7-22(26)21(24(35)32-17-3-4-17)9-20(15)16-10-30-34(13-16)19-8-18(11-29-12-19)31-23-5-6-33(2)14-25(23,27)28;1-12-2-3-13(19(25)23-16-4-5-16)6-18(12)14-8-22-24(11-14)17-7-15(20)9-21-10-17/h10-16,19-20,31H,2-9H2,1H3,(H,32,35);7-13,17,23,31H,3-6,14H2,1-2H3,(H,32,35);2-3,6-11,16H,4-5,20H2,1H3,(H,23,25)/t;23-;/m.0./s1.
What are the key properties of 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?
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 has a molecular weight of 1298.48 g/mol, XLogP of 10.86, 18 rotatable bonds, 6 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159456940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).