N-cyclopropyl-4-methyl-3-[1-[5-[(1-pentan-3-ylpiperidin-4-yl)amino]-3-pyridinyl]pyrazol-4-yl]benzamide

C29H38N6O — CID 154999645

IUPACN-cyclopropyl-4-methyl-3-[1-[5-[(1-pentan-3-ylpiperidin-4-yl)amino]-3-pyridinyl]pyrazol-4-yl]benzamide
SMILESCCC(CC)N1CCC(Nc2cncc(-n3cc(-c4cc(C(=O)NC5CC5)ccc4C)cn3)c2)CC1
InChIInChI=1S/C29H38N6O/c1-4-26(5-2)34-12-10-24(11-13-34)32-25-15-27(18-30-17-25)35-19-22(16-31-35)28-14-21(7-6-20(28)3)29(36)33-23-8-9-23/h6-7,14-19,23-24,26,32H,4-5,8-13H2,1-3H3,(H,33,36)
InChIKeyVMQLBRNAUSQMTG-UHFFFAOYSA-N
MW486.66 g/mol
LogP5.20
Rot. Bonds9

About N-cyclopropyl-4-methyl-3-[1-[5-[(1-pentan-3-ylpiperidin-4-yl)amino]-3-pyridinyl]pyrazol-4-yl]benzamide

N-cyclopropyl-4-methyl-3-[1-[5-[(1-pentan-3-ylpiperidin-4-yl)amino]-3-pyridinyl]pyrazol-4-yl]benzamide (PubChem CID 154999645) has the molecular formula C29H38N6O and a molecular weight of 486.66 g/mol. Its IUPAC name is N-cyclopropyl-4-methyl-3-[1-[5-[(1-pentan-3-ylpiperidin-4-yl)amino]-3-pyridinyl]pyrazol-4-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-methyl-3-[1-[5-[(1-pentan-3-ylpiperidin-4-yl)amino]-3-pyridinyl]pyrazol-4-yl]benzamide
PubChem CID154999645
Molecular FormulaC29H38N6O
Molecular Weight486.66 g/mol
Exact Mass486.31
IUPAC NameN-cyclopropyl-4-methyl-3-[1-[5-[(1-pentan-3-ylpiperidin-4-yl)amino]-3-pyridinyl]pyrazol-4-yl]benzamide
SMILESCCC(CC)N1CCC(Nc2cncc(-n3cc(-c4cc(C(=O)NC5CC5)ccc4C)cn3)c2)CC1
InChIInChI=1S/C29H38N6O/c1-4-26(5-2)34-12-10-24(11-13-34)32-25-15-27(18-30-17-25)35-19-22(16-31-35)28-14-21(7-6-20(28)3)29(36)33-23-8-9-23/h6-7,14-19,23-24,26,32H,4-5,8-13H2,1-3H3,(H,33,36)
InChIKeyVMQLBRNAUSQMTG-UHFFFAOYSA-N
XLogP5.20
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.66
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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-(oxan-3-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide
CID 134325374
N-cyclopropyl-4-methyl-3-[1-[5-[[1-(2-methyloxan-4-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide
CID 134325469
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
3-[1-(6-tert-butylsulfinyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide
CID 155015549
N-cyclopropyl-3-[1-[6-(ethyl-methylidene-oxo-λ6-sulfanyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide
CID 157192833
N-cyclopropyl-4-methyl-3-[1-[2-(2-oxo-1-pyridinyl)-1,3-thiazol-5-yl]pyrazol-4-yl]benzamide
CID 134328556
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-pentan-3-ylpiperidin-4-yl)amino]-3-pyridinyl]pyrazol-4-yl]benzamide?
The IUPAC name of N-cyclopropyl-4-methyl-3-[1-[5-[(1-pentan-3-ylpiperidin-4-yl)amino]-3-pyridinyl]pyrazol-4-yl]benzamide (CID 154999645) is N-cyclopropyl-4-methyl-3-[1-[5-[(1-pentan-3-ylpiperidin-4-yl)amino]-3-pyridinyl]pyrazol-4-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-methyl-3-[1-[5-[(1-pentan-3-ylpiperidin-4-yl)amino]-3-pyridinyl]pyrazol-4-yl]benzamide?
The canonical SMILES for N-cyclopropyl-4-methyl-3-[1-[5-[(1-pentan-3-ylpiperidin-4-yl)amino]-3-pyridinyl]pyrazol-4-yl]benzamide is CCC(CC)N1CCC(Nc2cncc(-n3cc(-c4cc(C(=O)NC5CC5)ccc4C)cn3)c2)CC1.
What is the InChIKey of N-cyclopropyl-4-methyl-3-[1-[5-[(1-pentan-3-ylpiperidin-4-yl)amino]-3-pyridinyl]pyrazol-4-yl]benzamide?
The InChIKey is VMQLBRNAUSQMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N6O/c1-4-26(5-2)34-12-10-24(11-13-34)32-25-15-27(18-30-17-25)35-19-22(16-31-35)28-14-21(7-6-20(28)3)29(36)33-23-8-9-23/h6-7,14-19,23-24,26,32H,4-5,8-13H2,1-3H3,(H,33,36).
What are the key properties of N-cyclopropyl-4-methyl-3-[1-[5-[(1-pentan-3-ylpiperidin-4-yl)amino]-3-pyridinyl]pyrazol-4-yl]benzamide?
N-cyclopropyl-4-methyl-3-[1-[5-[(1-pentan-3-ylpiperidin-4-yl)amino]-3-pyridinyl]pyrazol-4-yl]benzamide has a molecular weight of 486.66 g/mol, XLogP of 5.20, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-methyl-3-[1-[5-[(1-pentan-3-ylpiperidin-4-yl)amino]-3-pyridinyl]pyrazol-4-yl]benzamide is sourced from PubChem (CID 154999645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).