N-[2-(7-methyl-1H-indazol-5-yl)-1-pyridin-2-ylethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide

C29H31N7O2 — CID 11295168

IUPACN-[2-(7-methyl-1H-indazol-5-yl)-1-pyridin-2-ylethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
SMILESCc1cc(CC(NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)c2ccccn2)cc2cn[nH]c12
InChIInChI=1S/C29H31N7O2/c1-19-14-20(15-22-17-31-34-27(19)22)16-26(25-8-4-5-11-30-25)33-28(37)35-12-9-23(10-13-35)36-18-21-6-2-3-7-24(21)32-29(36)38/h2-8,11,14-15,17,23,26H,9-10,12-13,16,18H2,1H3,(H,31,34)(H,32,38)(H,33,37)
InChIKeyHYLCZFDYURFPAG-UHFFFAOYSA-N
MW509.61 g/mol
LogP4.77
Rot. Bonds5

About N-[2-(7-methyl-1H-indazol-5-yl)-1-pyridin-2-ylethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide

N-[2-(7-methyl-1H-indazol-5-yl)-1-pyridin-2-ylethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide (PubChem CID 11295168) has the molecular formula C29H31N7O2 and a molecular weight of 509.61 g/mol. Its IUPAC name is N-[2-(7-methyl-1H-indazol-5-yl)-1-pyridin-2-ylethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(7-methyl-1H-indazol-5-yl)-1-pyridin-2-ylethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
PubChem CID11295168
Molecular FormulaC29H31N7O2
Molecular Weight509.61 g/mol
Exact Mass509.25
IUPAC NameN-[2-(7-methyl-1H-indazol-5-yl)-1-pyridin-2-ylethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
SMILESCc1cc(CC(NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)c2ccccn2)cc2cn[nH]c12
InChIInChI=1S/C29H31N7O2/c1-19-14-20(15-22-17-31-34-27(19)22)16-26(25-8-4-5-11-30-25)33-28(37)35-12-9-23(10-13-35)36-18-21-6-2-3-7-24(21)32-29(36)38/h2-8,11,14-15,17,23,26H,9-10,12-13,16,18H2,1H3,(H,31,34)(H,32,38)(H,33,37)
InChIKeyHYLCZFDYURFPAG-UHFFFAOYSA-N
XLogP4.77
TPSA106.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.61
LogP ≤ 54.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(7-methyl-1H-indazol-5-yl)-1-pyridin-2-ylethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide?
The IUPAC name of N-[2-(7-methyl-1H-indazol-5-yl)-1-pyridin-2-ylethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide (CID 11295168) is N-[2-(7-methyl-1H-indazol-5-yl)-1-pyridin-2-ylethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[2-(7-methyl-1H-indazol-5-yl)-1-pyridin-2-ylethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[2-(7-methyl-1H-indazol-5-yl)-1-pyridin-2-ylethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide is Cc1cc(CC(NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)c2ccccn2)cc2cn[nH]c12.
What is the InChIKey of N-[2-(7-methyl-1H-indazol-5-yl)-1-pyridin-2-ylethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide?
The InChIKey is HYLCZFDYURFPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N7O2/c1-19-14-20(15-22-17-31-34-27(19)22)16-26(25-8-4-5-11-30-25)33-28(37)35-12-9-23(10-13-35)36-18-21-6-2-3-7-24(21)32-29(36)38/h2-8,11,14-15,17,23,26H,9-10,12-13,16,18H2,1H3,(H,31,34)(H,32,38)(H,33,37).
What are the key properties of N-[2-(7-methyl-1H-indazol-5-yl)-1-pyridin-2-ylethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide?
N-[2-(7-methyl-1H-indazol-5-yl)-1-pyridin-2-ylethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide has a molecular weight of 509.61 g/mol, XLogP of 4.77, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7-methyl-1H-indazol-5-yl)-1-pyridin-2-ylethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide is sourced from PubChem (CID 11295168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).