3-[1-[5-[(1-cyclobutylpiperidin-4-yl)amino]-3-pyridinyl]pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;N-cyclopropyl-3-[1-[5-[[1-(3-methoxyoxan-4-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-4-methyl-3-[1-[5-[[1-(3-methyloxan-4-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide

C88H110N18O6 — CID 158703349

IUPAC3-[1-[5-[(1-cyclobutylpiperidin-4-yl)amino]-3-pyridinyl]pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;N-cyclopropyl-3-[1-[5-[[1-(3-methoxyoxan-4-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-4-methyl-3-[1-[5-[[1-(3-methyloxan-4-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide
SMILESCOC1COCCC1N1CCC(Nc2cncc(-n3cc(-c4cc(C(=O)NC5CC5)ccc4C)cn3)c2)CC1.Cc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(NC3CCN(C4CCC4)CC3)c2)c1.Cc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(NC3CCN(C4CCOCC4C)CC3)c2)c1
InChIInChI=1S/C30H38N6O3.C30H38N6O2.C28H34N6O/c1-20-3-4-21(30(37)34-23-5-6-23)13-27(20)22-15-32-36(18-22)26-14-25(16-31-17-26)33-24-7-10-35(11-8-24)28-9-12-39-19-29(28)38-2;1-20-3-4-22(30(37)34-24-5-6-24)13-28(20)23-15-32-36(18-23)27-14-26(16-31-17-27)33-25-7-10-35(11-8-25)29-9-12-38-19-21(29)2;1-19-5-6-20(28(35)32-22-7-8-22)13-27(19)21-15-30-34(18-21)26-14-24(16-29-17-26)31-23-9-11-33(12-10-23)25-3-2-4-25/h3-4,13-18,23-24,28-29,33H,5-12,19H2,1-2H3,(H,34,37);3-4,13-18,21,24-25,29,33H,5-12,19H2,1-2H3,(H,34,37);5-6,13-18,22-23,25,31H,2-4,7-12H2,1H3,(H,32,35)
InChIKeyIHUYANFCLONXKS-UHFFFAOYSA-N
MW1515.97 g/mol
LogP12.82
Rot. Bonds22

About 3-[1-[5-[(1-cyclobutylpiperidin-4-yl)amino]-3-pyridinyl]pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;N-cyclopropyl-3-[1-[5-[[1-(3-methoxyoxan-4-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-4-methyl-3-[1-[5-[[1-(3-methyloxan-4-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide

3-[1-[5-[(1-cyclobutylpiperidin-4-yl)amino]-3-pyridinyl]pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;N-cyclopropyl-3-[1-[5-[[1-(3-methoxyoxan-4-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-4-methyl-3-[1-[5-[[1-(3-methyloxan-4-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide (PubChem CID 158703349) has the molecular formula C88H110N18O6 and a molecular weight of 1515.97 g/mol. Its IUPAC name is 3-[1-[5-[(1-cyclobutylpiperidin-4-yl)amino]-3-pyridinyl]pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;N-cyclopropyl-3-[1-[5-[[1-(3-methoxyoxan-4-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-4-methyl-3-[1-[5-[[1-(3-methyloxan-4-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide.

Molecular Properties

Compound Name3-[1-[5-[(1-cyclobutylpiperidin-4-yl)amino]-3-pyridinyl]pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;N-cyclopropyl-3-[1-[5-[[1-(3-methoxyoxan-4-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-4-methyl-3-[1-[5-[[1-(3-methyloxan-4-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide
PubChem CID158703349
Molecular FormulaC88H110N18O6
Molecular Weight1515.97 g/mol
Exact Mass1514.89
IUPAC Name3-[1-[5-[(1-cyclobutylpiperidin-4-yl)amino]-3-pyridinyl]pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;N-cyclopropyl-3-[1-[5-[[1-(3-methoxyoxan-4-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-4-methyl-3-[1-[5-[[1-(3-methyloxan-4-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide
SMILESCOC1COCCC1N1CCC(Nc2cncc(-n3cc(-c4cc(C(=O)NC5CC5)ccc4C)cn3)c2)CC1.Cc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(NC3CCN(C4CCC4)CC3)c2)c1.Cc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(NC3CCN(C4CCOCC4C)CC3)c2)c1
InChIInChI=1S/C30H38N6O3.C30H38N6O2.C28H34N6O/c1-20-3-4-21(30(37)34-23-5-6-23)13-27(20)22-15-32-36(18-22)26-14-25(16-31-17-26)33-24-7-10-35(11-8-24)28-9-12-39-19-29(28)38-2;1-20-3-4-22(30(37)34-24-5-6-24)13-28(20)23-15-32-36(18-23)27-14-26(16-31-17-27)33-25-7-10-35(11-8-25)29-9-12-38-19-21(29)2;1-19-5-6-20(28(35)32-22-7-8-22)13-27(19)21-15-30-34(18-21)26-14-24(16-29-17-26)31-23-9-11-33(12-10-23)25-3-2-4-25/h3-4,13-18,23-24,28-29,33H,5-12,19H2,1-2H3,(H,34,37);3-4,13-18,21,24-25,29,33H,5-12,19H2,1-2H3,(H,34,37);5-6,13-18,22-23,25,31H,2-4,7-12H2,1H3,(H,32,35)
InChIKeyIHUYANFCLONXKS-UHFFFAOYSA-N
XLogP12.82
TPSA252.93 Ų
H-Bond Donors6
H-Bond Acceptors21
Rotatable Bonds22
Heavy Atoms112
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001515.97
LogP ≤ 512.82
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1021

Analyze 3-[1-[5-[(1-cyclobutylpiperidin-4-yl)amino]-3-pyridinyl]pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;N-cyclopropyl-3-[1-[5-[[1-(3-methoxyoxan-4-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-4-methyl-3-[1-[5-[[1-(3-methyloxan-4-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide with MolForge

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Related Compounds

US10138222, Example 168
CID 134325351
US10138222, Example 166
CID 134325367
US10138222, Example 167
CID 134325457
US10138222, Example 163
CID 134325371
US10138222, Example 161
CID 134325374
US10138222, Example 164
CID 134325445
US10138222, Example 159
CID 134325446
US10138222, Example 165
CID 134325469
US10138222, Example 56
CID 134325479
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

Frequently Asked Questions

What is the IUPAC name of 3-[1-[5-[(1-cyclobutylpiperidin-4-yl)amino]-3-pyridinyl]pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;N-cyclopropyl-3-[1-[5-[[1-(3-methoxyoxan-4-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-4-methyl-3-[1-[5-[[1-(3-methyloxan-4-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide?
The IUPAC name of 3-[1-[5-[(1-cyclobutylpiperidin-4-yl)amino]-3-pyridinyl]pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;N-cyclopropyl-3-[1-[5-[[1-(3-methoxyoxan-4-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-4-methyl-3-[1-[5-[[1-(3-methyloxan-4-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide (CID 158703349) is 3-[1-[5-[(1-cyclobutylpiperidin-4-yl)amino]-3-pyridinyl]pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;N-cyclopropyl-3-[1-[5-[[1-(3-methoxyoxan-4-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-4-methyl-3-[1-[5-[[1-(3-methyloxan-4-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide.
What is the SMILES notation for 3-[1-[5-[(1-cyclobutylpiperidin-4-yl)amino]-3-pyridinyl]pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;N-cyclopropyl-3-[1-[5-[[1-(3-methoxyoxan-4-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-4-methyl-3-[1-[5-[[1-(3-methyloxan-4-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide?
The canonical SMILES for 3-[1-[5-[(1-cyclobutylpiperidin-4-yl)amino]-3-pyridinyl]pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;N-cyclopropyl-3-[1-[5-[[1-(3-methoxyoxan-4-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-4-methyl-3-[1-[5-[[1-(3-methyloxan-4-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide is COC1COCCC1N1CCC(Nc2cncc(-n3cc(-c4cc(C(=O)NC5CC5)ccc4C)cn3)c2)CC1.Cc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(NC3CCN(C4CCC4)CC3)c2)c1.Cc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(NC3CCN(C4CCOCC4C)CC3)c2)c1.
What is the InChIKey of 3-[1-[5-[(1-cyclobutylpiperidin-4-yl)amino]-3-pyridinyl]pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;N-cyclopropyl-3-[1-[5-[[1-(3-methoxyoxan-4-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-4-methyl-3-[1-[5-[[1-(3-methyloxan-4-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide?
The InChIKey is IHUYANFCLONXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N6O3.C30H38N6O2.C28H34N6O/c1-20-3-4-21(30(37)34-23-5-6-23)13-27(20)22-15-32-36(18-22)26-14-25(16-31-17-26)33-24-7-10-35(11-8-24)28-9-12-39-19-29(28)38-2;1-20-3-4-22(30(37)34-24-5-6-24)13-28(20)23-15-32-36(18-23)27-14-26(16-31-17-27)33-25-7-10-35(11-8-25)29-9-12-38-19-21(29)2;1-19-5-6-20(28(35)32-22-7-8-22)13-27(19)21-15-30-34(18-21)26-14-24(16-29-17-26)31-23-9-11-33(12-10-23)25-3-2-4-25/h3-4,13-18,23-24,28-29,33H,5-12,19H2,1-2H3,(H,34,37);3-4,13-18,21,24-25,29,33H,5-12,19H2,1-2H3,(H,34,37);5-6,13-18,22-23,25,31H,2-4,7-12H2,1H3,(H,32,35).
What are the key properties of 3-[1-[5-[(1-cyclobutylpiperidin-4-yl)amino]-3-pyridinyl]pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;N-cyclopropyl-3-[1-[5-[[1-(3-methoxyoxan-4-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-4-methyl-3-[1-[5-[[1-(3-methyloxan-4-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide?
3-[1-[5-[(1-cyclobutylpiperidin-4-yl)amino]-3-pyridinyl]pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;N-cyclopropyl-3-[1-[5-[[1-(3-methoxyoxan-4-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-4-methyl-3-[1-[5-[[1-(3-methyloxan-4-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide has a molecular weight of 1515.97 g/mol, XLogP of 12.82, 22 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[5-[(1-cyclobutylpiperidin-4-yl)amino]-3-pyridinyl]pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;N-cyclopropyl-3-[1-[5-[[1-(3-methoxyoxan-4-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-4-methyl-3-[1-[5-[[1-(3-methyloxan-4-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide is sourced from PubChem (CID 158703349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).