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

C25H34N6O2 — CID 155563932

IUPACN-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-piperazin-1-yl-1-propan-2-ylindazole-4-carboxamide
SMILESCCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(N2CCNCC2)cc2c1cnn2C(C)C
InChIInChI=1S/C25H34N6O2/c1-5-6-18-11-17(4)29-25(33)21(18)14-27-24(32)20-12-19(30-9-7-26-8-10-30)13-23-22(20)15-28-31(23)16(2)3/h11-13,15-16,26H,5-10,14H2,1-4H3,(H,27,32)(H,29,33)
InChIKeyNQEWPBXAVVWIDZ-UHFFFAOYSA-N
MW450.59 g/mol
LogP2.91
Rot. Bonds7

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

N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-piperazin-1-yl-1-propan-2-ylindazole-4-carboxamide (PubChem CID 155563932) has the molecular formula C25H34N6O2 and a molecular weight of 450.59 g/mol. Its IUPAC name is N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-piperazin-1-yl-1-propan-2-ylindazole-4-carboxamide.

Molecular Properties

Compound NameN-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-piperazin-1-yl-1-propan-2-ylindazole-4-carboxamide
PubChem CID155563932
Molecular FormulaC25H34N6O2
Molecular Weight450.59 g/mol
Exact Mass450.27
IUPAC NameN-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-piperazin-1-yl-1-propan-2-ylindazole-4-carboxamide
SMILESCCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(N2CCNCC2)cc2c1cnn2C(C)C
InChIInChI=1S/C25H34N6O2/c1-5-6-18-11-17(4)29-25(33)21(18)14-27-24(32)20-12-19(30-9-7-26-8-10-30)13-23-22(20)15-28-31(23)16(2)3/h11-13,15-16,26H,5-10,14H2,1-4H3,(H,27,32)(H,29,33)
InChIKeyNQEWPBXAVVWIDZ-UHFFFAOYSA-N
XLogP2.91
TPSA95.05 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.59
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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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-piperazin-1-yl-1-propan-2-ylindazole-4-carboxamide?
The IUPAC name of N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-piperazin-1-yl-1-propan-2-ylindazole-4-carboxamide (CID 155563932) is N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-piperazin-1-yl-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-piperazin-1-yl-1-propan-2-ylindazole-4-carboxamide?
The canonical SMILES for N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-piperazin-1-yl-1-propan-2-ylindazole-4-carboxamide is CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(N2CCNCC2)cc2c1cnn2C(C)C.
What is the InChIKey of N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-piperazin-1-yl-1-propan-2-ylindazole-4-carboxamide?
The InChIKey is NQEWPBXAVVWIDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N6O2/c1-5-6-18-11-17(4)29-25(33)21(18)14-27-24(32)20-12-19(30-9-7-26-8-10-30)13-23-22(20)15-28-31(23)16(2)3/h11-13,15-16,26H,5-10,14H2,1-4H3,(H,27,32)(H,29,33).
What are the key properties of N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-piperazin-1-yl-1-propan-2-ylindazole-4-carboxamide?
N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-piperazin-1-yl-1-propan-2-ylindazole-4-carboxamide has a molecular weight of 450.59 g/mol, XLogP of 2.91, 7 rotatable bonds, 3 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-piperazin-1-yl-1-propan-2-ylindazole-4-carboxamide is sourced from PubChem (CID 155563932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).