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

C30H37N7O2 — CID 53492732

IUPACN-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-(6-piperazin-1-yl-3-pyridinyl)-1-propan-2-ylindazole-4-carboxamide
SMILESCCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccc(N3CCNCC3)nc2)cc2c1cnn2C(C)C
InChIInChI=1S/C30H37N7O2/c1-5-6-21-13-20(4)35-30(39)25(21)17-33-29(38)24-14-23(15-27-26(24)18-34-37(27)19(2)3)22-7-8-28(32-16-22)36-11-9-31-10-12-36/h7-8,13-16,18-19,31H,5-6,9-12,17H2,1-4H3,(H,33,38)(H,35,39)
InChIKeyWQFSSFZRPZQMEO-UHFFFAOYSA-N
MW527.67 g/mol
LogP3.97
Rot. Bonds8

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

N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-(6-piperazin-1-yl-3-pyridinyl)-1-propan-2-ylindazole-4-carboxamide (PubChem CID 53492732) has the molecular formula C30H37N7O2 and a molecular weight of 527.67 g/mol. Its IUPAC name is N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-(6-piperazin-1-yl-3-pyridinyl)-1-propan-2-ylindazole-4-carboxamide.

Molecular Properties

Compound NameN-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-(6-piperazin-1-yl-3-pyridinyl)-1-propan-2-ylindazole-4-carboxamide
PubChem CID53492732
Molecular FormulaC30H37N7O2
Molecular Weight527.67 g/mol
Exact Mass527.30
IUPAC NameN-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-(6-piperazin-1-yl-3-pyridinyl)-1-propan-2-ylindazole-4-carboxamide
SMILESCCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccc(N3CCNCC3)nc2)cc2c1cnn2C(C)C
InChIInChI=1S/C30H37N7O2/c1-5-6-21-13-20(4)35-30(39)25(21)17-33-29(38)24-14-23(15-27-26(24)18-34-37(27)19(2)3)22-7-8-28(32-16-22)36-11-9-31-10-12-36/h7-8,13-16,18-19,31H,5-6,9-12,17H2,1-4H3,(H,33,38)(H,35,39)
InChIKeyWQFSSFZRPZQMEO-UHFFFAOYSA-N
XLogP3.97
TPSA107.94 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.67
LogP ≤ 53.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-(6-piperazin-1-yl-3-pyridinyl)-1-propan-2-ylindazole-4-carboxamide?
The IUPAC name of N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-(6-piperazin-1-yl-3-pyridinyl)-1-propan-2-ylindazole-4-carboxamide (CID 53492732) is N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-(6-piperazin-1-yl-3-pyridinyl)-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-(6-piperazin-1-yl-3-pyridinyl)-1-propan-2-ylindazole-4-carboxamide?
The canonical SMILES for N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-(6-piperazin-1-yl-3-pyridinyl)-1-propan-2-ylindazole-4-carboxamide is CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccc(N3CCNCC3)nc2)cc2c1cnn2C(C)C.
What is the InChIKey of N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-(6-piperazin-1-yl-3-pyridinyl)-1-propan-2-ylindazole-4-carboxamide?
The InChIKey is WQFSSFZRPZQMEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37N7O2/c1-5-6-21-13-20(4)35-30(39)25(21)17-33-29(38)24-14-23(15-27-26(24)18-34-37(27)19(2)3)22-7-8-28(32-16-22)36-11-9-31-10-12-36/h7-8,13-16,18-19,31H,5-6,9-12,17H2,1-4H3,(H,33,38)(H,35,39).
What are the key properties of N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-(6-piperazin-1-yl-3-pyridinyl)-1-propan-2-ylindazole-4-carboxamide?
N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-(6-piperazin-1-yl-3-pyridinyl)-1-propan-2-ylindazole-4-carboxamide has a molecular weight of 527.67 g/mol, XLogP of 3.97, 8 rotatable bonds, 3 hydrogen bond donors, and 7 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-(6-piperazin-1-yl-3-pyridinyl)-1-propan-2-ylindazole-4-carboxamide is sourced from PubChem (CID 53492732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).