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

C27H30N4O2 — CID 155547840

IUPACN-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-phenyl-1-propan-2-ylindazole-4-carboxamide
SMILESCCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccccc2)cc2c1cnn2C(C)C
InChIInChI=1S/C27H30N4O2/c1-5-9-20-12-18(4)30-27(33)23(20)15-28-26(32)22-13-21(19-10-7-6-8-11-19)14-25-24(22)16-29-31(25)17(2)3/h6-8,10-14,16-17H,5,9,15H2,1-4H3,(H,28,32)(H,30,33)
InChIKeyLBYHANKVZKWUOG-UHFFFAOYSA-N
MW442.56 g/mol
LogP5.16
Rot. Bonds7

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

N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-phenyl-1-propan-2-ylindazole-4-carboxamide (PubChem CID 155547840) has the molecular formula C27H30N4O2 and a molecular weight of 442.56 g/mol. Its IUPAC name is N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-phenyl-1-propan-2-ylindazole-4-carboxamide.

Molecular Properties

Compound NameN-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-phenyl-1-propan-2-ylindazole-4-carboxamide
PubChem CID155547840
Molecular FormulaC27H30N4O2
Molecular Weight442.56 g/mol
Exact Mass442.24
IUPAC NameN-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-phenyl-1-propan-2-ylindazole-4-carboxamide
SMILESCCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccccc2)cc2c1cnn2C(C)C
InChIInChI=1S/C27H30N4O2/c1-5-9-20-12-18(4)30-27(33)23(20)15-28-26(32)22-13-21(19-10-7-6-8-11-19)14-25-24(22)16-29-31(25)17(2)3/h6-8,10-14,16-17H,5,9,15H2,1-4H3,(H,28,32)(H,30,33)
InChIKeyLBYHANKVZKWUOG-UHFFFAOYSA-N
XLogP5.16
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.56
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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-phenyl-1-propan-2-ylindazole-4-carboxamide?
The IUPAC name of N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-phenyl-1-propan-2-ylindazole-4-carboxamide (CID 155547840) is N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-phenyl-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-phenyl-1-propan-2-ylindazole-4-carboxamide?
The canonical SMILES for N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-phenyl-1-propan-2-ylindazole-4-carboxamide is CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccccc2)cc2c1cnn2C(C)C.
What is the InChIKey of N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-phenyl-1-propan-2-ylindazole-4-carboxamide?
The InChIKey is LBYHANKVZKWUOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O2/c1-5-9-20-12-18(4)30-27(33)23(20)15-28-26(32)22-13-21(19-10-7-6-8-11-19)14-25-24(22)16-29-31(25)17(2)3/h6-8,10-14,16-17H,5,9,15H2,1-4H3,(H,28,32)(H,30,33).
What are the key properties of N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-phenyl-1-propan-2-ylindazole-4-carboxamide?
N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-phenyl-1-propan-2-ylindazole-4-carboxamide has a molecular weight of 442.56 g/mol, XLogP of 5.16, 7 rotatable bonds, 2 hydrogen bond donors, and 4 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-phenyl-1-propan-2-ylindazole-4-carboxamide is sourced from PubChem (CID 155547840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).