2-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)-N-(3-ethylphenyl)-4-(2-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide

C29H30N6O — CID 59407196

IUPAC2-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)-N-(3-ethylphenyl)-4-(2-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
SMILESCCc1cccc(NC(=O)N2CCc3nc(-c4cnn5c4CCC5)nc(-c4ccccc4C)c3C2)c1
InChIInChI=1S/C29H30N6O/c1-3-20-9-6-10-21(16-20)31-29(36)34-15-13-25-24(18-34)27(22-11-5-4-8-19(22)2)33-28(32-25)23-17-30-35-14-7-12-26(23)35/h4-6,8-11,16-17H,3,7,12-15,18H2,1-2H3,(H,31,36)
InChIKeyQBHAWFVXEVZPJK-UHFFFAOYSA-N
MW478.60 g/mol
LogP5.41
Rot. Bonds4

About 2-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)-N-(3-ethylphenyl)-4-(2-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide

2-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)-N-(3-ethylphenyl)-4-(2-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (PubChem CID 59407196) has the molecular formula C29H30N6O and a molecular weight of 478.60 g/mol. Its IUPAC name is 2-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)-N-(3-ethylphenyl)-4-(2-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)-N-(3-ethylphenyl)-4-(2-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
PubChem CID59407196
Molecular FormulaC29H30N6O
Molecular Weight478.60 g/mol
Exact Mass478.25
IUPAC Name2-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)-N-(3-ethylphenyl)-4-(2-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
SMILESCCc1cccc(NC(=O)N2CCc3nc(-c4cnn5c4CCC5)nc(-c4ccccc4C)c3C2)c1
InChIInChI=1S/C29H30N6O/c1-3-20-9-6-10-21(16-20)31-29(36)34-15-13-25-24(18-34)27(22-11-5-4-8-19(22)2)33-28(32-25)23-17-30-35-14-7-12-26(23)35/h4-6,8-11,16-17H,3,7,12-15,18H2,1-2H3,(H,31,36)
InChIKeyQBHAWFVXEVZPJK-UHFFFAOYSA-N
XLogP5.41
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.60
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)-N-(3-ethylphenyl)-4-(2-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-(3-ethylphenyl)-4-(2-methylphenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 54586444
2-(6-cyano-3-pyridinyl)-N-(3-ethylphenyl)-4-(2-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 25157643
N-(3-ethylphenyl)-2-(2-fluoro-4-pyridinyl)-4-(2-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 59407210
N-(3-ethylphenyl)-4-(4-methylthiophen-3-yl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 59407142
ethyl 3-[3-ethyl-5-[[4-(2-methylphenyl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl]amino]phenyl]benzoate
CID 59407198
4-(2,6-dimethylmorpholin-4-yl)-N-(3-ethylphenyl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 42786966
N-(3-ethylphenyl)-4-morpholin-4-yl-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 42787853
N-(3-ethylphenyl)-8-oxo-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-triene-11-carboxamide
CID 53184013
5-(cyclopropylmethyl)-N-(3-ethylphenyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxamide
CID 42695129
2-amino-4-(2-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylic acid
CID 68517474
N-(3-ethylphenyl)-3-hydroxypiperidine-1-carboxamide
CID 47032364
ethyl (3S)-1-[(3-ethylphenyl)carbamoyl]piperidine-3-carboxylate
CID 51664598

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)-N-(3-ethylphenyl)-4-(2-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 2-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)-N-(3-ethylphenyl)-4-(2-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (CID 59407196) is 2-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)-N-(3-ethylphenyl)-4-(2-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)-N-(3-ethylphenyl)-4-(2-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 2-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)-N-(3-ethylphenyl)-4-(2-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is CCc1cccc(NC(=O)N2CCc3nc(-c4cnn5c4CCC5)nc(-c4ccccc4C)c3C2)c1.
What is the InChIKey of 2-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)-N-(3-ethylphenyl)-4-(2-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The InChIKey is QBHAWFVXEVZPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N6O/c1-3-20-9-6-10-21(16-20)31-29(36)34-15-13-25-24(18-34)27(22-11-5-4-8-19(22)2)33-28(32-25)23-17-30-35-14-7-12-26(23)35/h4-6,8-11,16-17H,3,7,12-15,18H2,1-2H3,(H,31,36).
What are the key properties of 2-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)-N-(3-ethylphenyl)-4-(2-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
2-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)-N-(3-ethylphenyl)-4-(2-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide has a molecular weight of 478.60 g/mol, XLogP of 5.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)-N-(3-ethylphenyl)-4-(2-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 59407196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).