N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-(piperidin-4-ylamino)-1-propan-2-ylindazole-4-carboxamide

C26H36N6O2 — CID 155547915

IUPACN-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-(piperidin-4-ylamino)-1-propan-2-ylindazole-4-carboxamide
SMILESCCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(NC2CCNCC2)cc2c1cnn2C(C)C
InChIInChI=1S/C26H36N6O2/c1-5-6-18-11-17(4)30-26(34)22(18)14-28-25(33)21-12-20(31-19-7-9-27-10-8-19)13-24-23(21)15-29-32(24)16(2)3/h11-13,15-16,19,27,31H,5-10,14H2,1-4H3,(H,28,33)(H,30,34)
InChIKeyJOSJXPDJSZKUDO-UHFFFAOYSA-N
MW464.61 g/mol
LogP3.66
Rot. Bonds8

About N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-(piperidin-4-ylamino)-1-propan-2-ylindazole-4-carboxamide

N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-(piperidin-4-ylamino)-1-propan-2-ylindazole-4-carboxamide (PubChem CID 155547915) has the molecular formula C26H36N6O2 and a molecular weight of 464.61 g/mol. Its IUPAC name is N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-(piperidin-4-ylamino)-1-propan-2-ylindazole-4-carboxamide.

Molecular Properties

Compound NameN-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-(piperidin-4-ylamino)-1-propan-2-ylindazole-4-carboxamide
PubChem CID155547915
Molecular FormulaC26H36N6O2
Molecular Weight464.61 g/mol
Exact Mass464.29
IUPAC NameN-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-(piperidin-4-ylamino)-1-propan-2-ylindazole-4-carboxamide
SMILESCCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(NC2CCNCC2)cc2c1cnn2C(C)C
InChIInChI=1S/C26H36N6O2/c1-5-6-18-11-17(4)30-26(34)22(18)14-28-25(33)21-12-20(31-19-7-9-27-10-8-19)13-24-23(21)15-29-32(24)16(2)3/h11-13,15-16,19,27,31H,5-10,14H2,1-4H3,(H,28,33)(H,30,34)
InChIKeyJOSJXPDJSZKUDO-UHFFFAOYSA-N
XLogP3.66
TPSA103.84 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.61
LogP ≤ 53.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

Niraparib
CID 24958200
2-(4-(piperidin-3-yl)phenyl)-2H-indazole-7-carboxamide
CID 24958198
Safimaltib
CID 134609793
Epz005687
CID 60160561
N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-1-propan-2-ylindazole-3-carboxamide;hydrochloride
CID 9954929
N-[[1-[2-(4-aminophenyl)ethyl]piperidin-4-yl]methyl]-1-propan-2-ylindazole-3-carboxamide;dihydrochloride
CID 11397742
N-[[1-(2-cyclohexylethyl)piperidin-4-yl]methyl]-1-propan-2-ylindazole-3-carboxamide;hydrochloride
CID 21252893
N-(2,3-dimethylphenyl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 16193945
4-phenyl-N-[4-[propyl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)amino]butyl]benzamide
CID 52937776
4-phenyl-N-[4-[propyl-[(5S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]amino]butyl]benzamide
CID 52937876
N-[[1-[3-(methylamino)-3-oxopropyl]piperidin-4-yl]methyl]-1-propan-2-ylindazole-3-carboxamide;hydrochloride
CID 71457298
1-[1-(tert-butylcarbamoyl)piperidin-4-yl]-N-[3-ethyl-4-(4-methyl-6-oxo-1H-pyridazin-3-yl)phenyl]indazole-3-carboxamide
CID 155568509

Frequently Asked Questions

What is the IUPAC name of N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-(piperidin-4-ylamino)-1-propan-2-ylindazole-4-carboxamide?
The IUPAC name of N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-(piperidin-4-ylamino)-1-propan-2-ylindazole-4-carboxamide (CID 155547915) is N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-(piperidin-4-ylamino)-1-propan-2-ylindazole-4-carboxamide.
What is the SMILES notation for N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-(piperidin-4-ylamino)-1-propan-2-ylindazole-4-carboxamide?
The canonical SMILES for N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-(piperidin-4-ylamino)-1-propan-2-ylindazole-4-carboxamide is CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(NC2CCNCC2)cc2c1cnn2C(C)C.
What is the InChIKey of N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-(piperidin-4-ylamino)-1-propan-2-ylindazole-4-carboxamide?
The InChIKey is JOSJXPDJSZKUDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N6O2/c1-5-6-18-11-17(4)30-26(34)22(18)14-28-25(33)21-12-20(31-19-7-9-27-10-8-19)13-24-23(21)15-29-32(24)16(2)3/h11-13,15-16,19,27,31H,5-10,14H2,1-4H3,(H,28,33)(H,30,34).
What are the key properties of N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-(piperidin-4-ylamino)-1-propan-2-ylindazole-4-carboxamide?
N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-(piperidin-4-ylamino)-1-propan-2-ylindazole-4-carboxamide has a molecular weight of 464.61 g/mol, XLogP of 3.66, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-(piperidin-4-ylamino)-1-propan-2-ylindazole-4-carboxamide is sourced from PubChem (CID 155547915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).