N-cyclopropyl-4-methyl-3-[1-[5-[[1-(2-methyloxan-4-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide

C30H38N6O2 — CID 134325469

IUPACN-cyclopropyl-4-methyl-3-[1-[5-[[1-(2-methyloxan-4-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(NC3CCN(C4CCOC(C)C4)CC3)c2)c1
InChIInChI=1S/C30H38N6O2/c1-20-3-4-22(30(37)34-24-5-6-24)14-29(20)23-16-32-36(19-23)28-15-26(17-31-18-28)33-25-7-10-35(11-8-25)27-9-12-38-21(2)13-27/h3-4,14-19,21,24-25,27,33H,5-13H2,1-2H3,(H,34,37)
InChIKeyOETHHWJWNSWACT-UHFFFAOYSA-N
MW514.67 g/mol
LogP4.58
Rot. Bonds7

About N-cyclopropyl-4-methyl-3-[1-[5-[[1-(2-methyloxan-4-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide

N-cyclopropyl-4-methyl-3-[1-[5-[[1-(2-methyloxan-4-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide (PubChem CID 134325469) has the molecular formula C30H38N6O2 and a molecular weight of 514.67 g/mol. Its IUPAC name is N-cyclopropyl-4-methyl-3-[1-[5-[[1-(2-methyloxan-4-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-methyl-3-[1-[5-[[1-(2-methyloxan-4-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide
PubChem CID134325469
Molecular FormulaC30H38N6O2
Molecular Weight514.67 g/mol
Exact Mass514.31
IUPAC NameN-cyclopropyl-4-methyl-3-[1-[5-[[1-(2-methyloxan-4-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(NC3CCN(C4CCOC(C)C4)CC3)c2)c1
InChIInChI=1S/C30H38N6O2/c1-20-3-4-22(30(37)34-24-5-6-24)14-29(20)23-16-32-36(19-23)28-15-26(17-31-18-28)33-25-7-10-35(11-8-25)27-9-12-38-21(2)13-27/h3-4,14-19,21,24-25,27,33H,5-13H2,1-2H3,(H,34,37)
InChIKeyOETHHWJWNSWACT-UHFFFAOYSA-N
XLogP4.58
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.67
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-cyclopropyl-4-methyl-3-[1-[5-[[1-(oxan-3-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide
CID 134325374
N-cyclopropyl-3-[1-[5-[[1-(1,4-dioxan-2-ylmethyl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide
CID 134325351
N-cyclopropyl-4-methyl-3-[1-[5-[(1-pentan-3-ylpiperidin-4-yl)amino]-3-pyridinyl]pyrazol-4-yl]benzamide
CID 154999645
3-[1-[5-(1-carbamoylcyclopropyl)-3-pyridinyl]pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide
CID 134325343
N-cyclopropyl-4-methyl-3-[1-[6-(oxan-4-yl)pyrazin-2-yl]pyrazol-4-yl]benzamide
CID 134325342
3-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazol-1-yl]imidazo[1,2-a]pyridine-7-carboxylic acid
CID 134328481
N-cyclopropyl-4-methyl-3-[1-[6-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide
CID 134328558
3-[1-[5-[3,3-bis(hydroxymethyl)cyclobutyl]oxy-3-pyridinyl]pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;N-cyclopropyl-3-[1-(5-hydroxy-3-pyridinyl)pyrazol-4-yl]-4-methylbenzamide;2-oxaspiro[3.3]heptan-6-ol
CID 161108093
2-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazol-1-yl]-7-methoxyimidazo[1,2-a]pyridine-6-sulfinate
CID 155015554
4-[[6-[5-(cyclopropylcarbamoyl)-2-methylphenyl]quinazolin-2-yl]amino]piperidine-1-carboxylic acid
CID 71268473
3-[1-(4-chlorophenyl)pyrazol-4-yl]-4-methylbenzoic acid
CID 118409218
N-cyclopropyl-5-[1-[5-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide
CID 134335693

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-methyl-3-[1-[5-[[1-(2-methyloxan-4-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide?
The IUPAC name of N-cyclopropyl-4-methyl-3-[1-[5-[[1-(2-methyloxan-4-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide (CID 134325469) is N-cyclopropyl-4-methyl-3-[1-[5-[[1-(2-methyloxan-4-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-methyl-3-[1-[5-[[1-(2-methyloxan-4-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide?
The canonical SMILES for N-cyclopropyl-4-methyl-3-[1-[5-[[1-(2-methyloxan-4-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide is Cc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(NC3CCN(C4CCOC(C)C4)CC3)c2)c1.
What is the InChIKey of N-cyclopropyl-4-methyl-3-[1-[5-[[1-(2-methyloxan-4-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide?
The InChIKey is OETHHWJWNSWACT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N6O2/c1-20-3-4-22(30(37)34-24-5-6-24)14-29(20)23-16-32-36(19-23)28-15-26(17-31-18-28)33-25-7-10-35(11-8-25)27-9-12-38-21(2)13-27/h3-4,14-19,21,24-25,27,33H,5-13H2,1-2H3,(H,34,37).
What are the key properties of N-cyclopropyl-4-methyl-3-[1-[5-[[1-(2-methyloxan-4-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide?
N-cyclopropyl-4-methyl-3-[1-[5-[[1-(2-methyloxan-4-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide has a molecular weight of 514.67 g/mol, XLogP of 4.58, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-methyl-3-[1-[5-[[1-(2-methyloxan-4-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide is sourced from PubChem (CID 134325469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).