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

C35H45N7O2 — CID 155557835

IUPAC1-cyclopentyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]indazole-4-carboxamide
SMILESCCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccc(N3CCN(C(C)C)CC3)nc2)cc2c1cnn2C1CCCC1
InChIInChI=1S/C35H45N7O2/c1-5-8-25-17-24(4)39-35(44)30(25)21-37-34(43)29-18-27(19-32-31(29)22-38-42(32)28-9-6-7-10-28)26-11-12-33(36-20-26)41-15-13-40(14-16-41)23(2)3/h11-12,17-20,22-23,28H,5-10,13-16,21H2,1-4H3,(H,37,43)(H,39,44)
InChIKeyRGNBGQDOGFPPOS-UHFFFAOYSA-N
MW595.79 g/mol
LogP5.62
Rot. Bonds9

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

1-cyclopentyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]indazole-4-carboxamide (PubChem CID 155557835) has the molecular formula C35H45N7O2 and a molecular weight of 595.79 g/mol. Its IUPAC name is 1-cyclopentyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]indazole-4-carboxamide.

Molecular Properties

Compound Name1-cyclopentyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]indazole-4-carboxamide
PubChem CID155557835
Molecular FormulaC35H45N7O2
Molecular Weight595.79 g/mol
Exact Mass595.36
IUPAC Name1-cyclopentyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]indazole-4-carboxamide
SMILESCCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccc(N3CCN(C(C)C)CC3)nc2)cc2c1cnn2C1CCCC1
InChIInChI=1S/C35H45N7O2/c1-5-8-25-17-24(4)39-35(44)30(25)21-37-34(43)29-18-27(19-32-31(29)22-38-42(32)28-9-6-7-10-28)26-11-12-33(36-20-26)41-15-13-40(14-16-41)23(2)3/h11-12,17-20,22-23,28H,5-10,13-16,21H2,1-4H3,(H,37,43)(H,39,44)
InChIKeyRGNBGQDOGFPPOS-UHFFFAOYSA-N
XLogP5.62
TPSA99.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500595.79
LogP ≤ 55.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]indazole-4-carboxamide?
The IUPAC name of 1-cyclopentyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]indazole-4-carboxamide (CID 155557835) is 1-cyclopentyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]indazole-4-carboxamide.
What is the SMILES notation for 1-cyclopentyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]indazole-4-carboxamide?
The canonical SMILES for 1-cyclopentyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]indazole-4-carboxamide is CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccc(N3CCN(C(C)C)CC3)nc2)cc2c1cnn2C1CCCC1.
What is the InChIKey of 1-cyclopentyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]indazole-4-carboxamide?
The InChIKey is RGNBGQDOGFPPOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H45N7O2/c1-5-8-25-17-24(4)39-35(44)30(25)21-37-34(43)29-18-27(19-32-31(29)22-38-42(32)28-9-6-7-10-28)26-11-12-33(36-20-26)41-15-13-40(14-16-41)23(2)3/h11-12,17-20,22-23,28H,5-10,13-16,21H2,1-4H3,(H,37,43)(H,39,44).
What are the key properties of 1-cyclopentyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]indazole-4-carboxamide?
1-cyclopentyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]indazole-4-carboxamide has a molecular weight of 595.79 g/mol, XLogP of 5.62, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]indazole-4-carboxamide is sourced from PubChem (CID 155557835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).