N-[(1,6-dimethyl-2-oxo-4-propyl-3-pyridinyl)methyl]-N-methyl-1-propan-2-yl-6-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]indazole-4-carboxamide

C35H47N7O2 — CID 91691116

IUPACN-[(1,6-dimethyl-2-oxo-4-propyl-3-pyridinyl)methyl]-N-methyl-1-propan-2-yl-6-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]indazole-4-carboxamide
SMILESCCCc1cc(C)n(C)c(=O)c1CN(C)C(=O)c1cc(-c2ccc(N3CCN(C(C)C)CC3)nc2)cc2c1cnn2C(C)C
InChIInChI=1S/C35H47N7O2/c1-9-10-26-17-25(6)39(8)35(44)31(26)22-38(7)34(43)29-18-28(19-32-30(29)21-37-42(32)24(4)5)27-11-12-33(36-20-27)41-15-13-40(14-16-41)23(2)3/h11-12,17-21,23-24H,9-10,13-16,22H2,1-8H3
InChIKeyIFSQHIRDVVFJSQ-UHFFFAOYSA-N
MW597.81 g/mol
LogP5.44
Rot. Bonds9

About N-[(1,6-dimethyl-2-oxo-4-propyl-3-pyridinyl)methyl]-N-methyl-1-propan-2-yl-6-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]indazole-4-carboxamide

N-[(1,6-dimethyl-2-oxo-4-propyl-3-pyridinyl)methyl]-N-methyl-1-propan-2-yl-6-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]indazole-4-carboxamide (PubChem CID 91691116) has the molecular formula C35H47N7O2 and a molecular weight of 597.81 g/mol. Its IUPAC name is N-[(1,6-dimethyl-2-oxo-4-propyl-3-pyridinyl)methyl]-N-methyl-1-propan-2-yl-6-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]indazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1,6-dimethyl-2-oxo-4-propyl-3-pyridinyl)methyl]-N-methyl-1-propan-2-yl-6-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]indazole-4-carboxamide
PubChem CID91691116
Molecular FormulaC35H47N7O2
Molecular Weight597.81 g/mol
Exact Mass597.38
IUPAC NameN-[(1,6-dimethyl-2-oxo-4-propyl-3-pyridinyl)methyl]-N-methyl-1-propan-2-yl-6-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]indazole-4-carboxamide
SMILESCCCc1cc(C)n(C)c(=O)c1CN(C)C(=O)c1cc(-c2ccc(N3CCN(C(C)C)CC3)nc2)cc2c1cnn2C(C)C
InChIInChI=1S/C35H47N7O2/c1-9-10-26-17-25(6)39(8)35(44)31(26)22-38(7)34(43)29-18-28(19-32-30(29)21-37-42(32)24(4)5)27-11-12-33(36-20-27)41-15-13-40(14-16-41)23(2)3/h11-12,17-21,23-24H,9-10,13-16,22H2,1-8H3
InChIKeyIFSQHIRDVVFJSQ-UHFFFAOYSA-N
XLogP5.44
TPSA79.50 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500597.81
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(1,6-dimethyl-2-oxo-4-propyl-3-pyridinyl)methyl]-N-methyl-1-propan-2-yl-6-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]indazole-4-carboxamide?
The IUPAC name of N-[(1,6-dimethyl-2-oxo-4-propyl-3-pyridinyl)methyl]-N-methyl-1-propan-2-yl-6-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]indazole-4-carboxamide (CID 91691116) is N-[(1,6-dimethyl-2-oxo-4-propyl-3-pyridinyl)methyl]-N-methyl-1-propan-2-yl-6-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]indazole-4-carboxamide.
What is the SMILES notation for N-[(1,6-dimethyl-2-oxo-4-propyl-3-pyridinyl)methyl]-N-methyl-1-propan-2-yl-6-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]indazole-4-carboxamide?
The canonical SMILES for N-[(1,6-dimethyl-2-oxo-4-propyl-3-pyridinyl)methyl]-N-methyl-1-propan-2-yl-6-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]indazole-4-carboxamide is CCCc1cc(C)n(C)c(=O)c1CN(C)C(=O)c1cc(-c2ccc(N3CCN(C(C)C)CC3)nc2)cc2c1cnn2C(C)C.
What is the InChIKey of N-[(1,6-dimethyl-2-oxo-4-propyl-3-pyridinyl)methyl]-N-methyl-1-propan-2-yl-6-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]indazole-4-carboxamide?
The InChIKey is IFSQHIRDVVFJSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H47N7O2/c1-9-10-26-17-25(6)39(8)35(44)31(26)22-38(7)34(43)29-18-28(19-32-30(29)21-37-42(32)24(4)5)27-11-12-33(36-20-27)41-15-13-40(14-16-41)23(2)3/h11-12,17-21,23-24H,9-10,13-16,22H2,1-8H3.
What are the key properties of N-[(1,6-dimethyl-2-oxo-4-propyl-3-pyridinyl)methyl]-N-methyl-1-propan-2-yl-6-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]indazole-4-carboxamide?
N-[(1,6-dimethyl-2-oxo-4-propyl-3-pyridinyl)methyl]-N-methyl-1-propan-2-yl-6-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]indazole-4-carboxamide has a molecular weight of 597.81 g/mol, XLogP of 5.44, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,6-dimethyl-2-oxo-4-propyl-3-pyridinyl)methyl]-N-methyl-1-propan-2-yl-6-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]indazole-4-carboxamide is sourced from PubChem (CID 91691116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).