N-[[8-[(3-methoxyphenyl)methyl]-4-methyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]-N,1-dimethylpyrazole-4-carboxamide

C23H26N6O3 — CID 92620179

IUPACN-[[8-[(3-methoxyphenyl)methyl]-4-methyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]-N,1-dimethylpyrazole-4-carboxamide
SMILESCOc1cccc(CN2C(=O)CCc3c(C)nc(CN(C)C(=O)c4cnn(C)c4)nc32)c1
InChIInChI=1S/C23H26N6O3/c1-15-19-8-9-21(30)29(12-16-6-5-7-18(10-16)32-4)22(19)26-20(25-15)14-27(2)23(31)17-11-24-28(3)13-17/h5-7,10-11,13H,8-9,12,14H2,1-4H3
InChIKeyQWQPHRDKGVCDFZ-UHFFFAOYSA-N
MW434.50 g/mol
LogP2.28
Rot. Bonds6

About N-[[8-[(3-methoxyphenyl)methyl]-4-methyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]-N,1-dimethylpyrazole-4-carboxamide

N-[[8-[(3-methoxyphenyl)methyl]-4-methyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]-N,1-dimethylpyrazole-4-carboxamide (PubChem CID 92620179) has the molecular formula C23H26N6O3 and a molecular weight of 434.50 g/mol. Its IUPAC name is N-[[8-[(3-methoxyphenyl)methyl]-4-methyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]-N,1-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[[8-[(3-methoxyphenyl)methyl]-4-methyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]-N,1-dimethylpyrazole-4-carboxamide
PubChem CID92620179
Molecular FormulaC23H26N6O3
Molecular Weight434.50 g/mol
Exact Mass434.21
IUPAC NameN-[[8-[(3-methoxyphenyl)methyl]-4-methyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]-N,1-dimethylpyrazole-4-carboxamide
SMILESCOc1cccc(CN2C(=O)CCc3c(C)nc(CN(C)C(=O)c4cnn(C)c4)nc32)c1
InChIInChI=1S/C23H26N6O3/c1-15-19-8-9-21(30)29(12-16-6-5-7-18(10-16)32-4)22(19)26-20(25-15)14-27(2)23(31)17-11-24-28(3)13-17/h5-7,10-11,13H,8-9,12,14H2,1-4H3
InChIKeyQWQPHRDKGVCDFZ-UHFFFAOYSA-N
XLogP2.28
TPSA93.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-[[8-[(3-methoxyphenyl)methyl]-4-methyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]-N,1-dimethylpyrazole-4-carboxamide with MolForge

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Related Compounds

2-methoxy-N-[[8-[(3-methoxyphenyl)methyl]-4-methyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]-N,2-dimethylpropanamide
CID 92620209
N,1-dimethyl-N-[[4-methyl-8-[2-(2-methylphenoxy)ethyl]-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]pyrazole-4-carboxamide
CID 92619978
(2S)-N-[[8-[(3-methoxyphenyl)methyl]-4-methyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]-N-methylspiro[2.3]hexane-2-carboxamide
CID 92620206
N-[[8-[(3-methoxyphenyl)methyl]-4-methyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]-N-methyl-2-[(2S)-oxolan-2-yl]acetamide
CID 92620167
N-[(8-benzyl-4-methyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl)methyl]-2-(3,4-dimethylphenyl)-N-methylacetamide
CID 92620140
N-[[8-(cyclopropylmethyl)-4-methyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]-N-methyl-2-phenoxyacetamide
CID 92619761
2-[[(2-methoxy-3-methylphenyl)methyl-methylamino]methyl]-4-methyl-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92620162
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylbenzamide
CID 26444427
N-[(3-methoxyphenyl)methyl]-N,1-dimethyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 51262026
4-methyl-2-[(2S)-1-(1-methylpyrazole-4-carbonyl)pyrrolidin-2-yl]-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92630368
N-[(8-benzyl-4-methyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl)methyl]-3-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-methylpropanamide
CID 92620143
3-methoxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 22070414

Frequently Asked Questions

What is the IUPAC name of N-[[8-[(3-methoxyphenyl)methyl]-4-methyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]-N,1-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-[[8-[(3-methoxyphenyl)methyl]-4-methyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]-N,1-dimethylpyrazole-4-carboxamide (CID 92620179) is N-[[8-[(3-methoxyphenyl)methyl]-4-methyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]-N,1-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-[[8-[(3-methoxyphenyl)methyl]-4-methyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]-N,1-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-[[8-[(3-methoxyphenyl)methyl]-4-methyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]-N,1-dimethylpyrazole-4-carboxamide is COc1cccc(CN2C(=O)CCc3c(C)nc(CN(C)C(=O)c4cnn(C)c4)nc32)c1.
What is the InChIKey of N-[[8-[(3-methoxyphenyl)methyl]-4-methyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]-N,1-dimethylpyrazole-4-carboxamide?
The InChIKey is QWQPHRDKGVCDFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O3/c1-15-19-8-9-21(30)29(12-16-6-5-7-18(10-16)32-4)22(19)26-20(25-15)14-27(2)23(31)17-11-24-28(3)13-17/h5-7,10-11,13H,8-9,12,14H2,1-4H3.
What are the key properties of N-[[8-[(3-methoxyphenyl)methyl]-4-methyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]-N,1-dimethylpyrazole-4-carboxamide?
N-[[8-[(3-methoxyphenyl)methyl]-4-methyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]-N,1-dimethylpyrazole-4-carboxamide has a molecular weight of 434.50 g/mol, XLogP of 2.28, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[8-[(3-methoxyphenyl)methyl]-4-methyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]-N,1-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 92620179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).