5-(2-methoxyanilino)-7-[(4-methoxyphenyl)methylamino]-N-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C27H29N7O4 — CID 175879702

IUPAC5-(2-methoxyanilino)-7-[(4-methoxyphenyl)methylamino]-N-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(CNc2cc(Nc3ccccc3OC)nc3c(C(=O)N[C@@H]4CCN(C)C4=O)cnn23)cc1
InChIInChI=1S/C27H29N7O4/c1-33-13-12-21(27(33)36)31-26(35)19-16-29-34-24(28-15-17-8-10-18(37-2)11-9-17)14-23(32-25(19)34)30-20-6-4-5-7-22(20)38-3/h4-11,14,16,21,28H,12-13,15H2,1-3H3,(H,30,32)(H,31,35)/t21-/m1/s1
InChIKeyKCEVHYWOBZRRFC-OAQYLSRUSA-N
MW515.57 g/mol
LogP3.06
Rot. Bonds9

About 5-(2-methoxyanilino)-7-[(4-methoxyphenyl)methylamino]-N-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-(2-methoxyanilino)-7-[(4-methoxyphenyl)methylamino]-N-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 175879702) has the molecular formula C27H29N7O4 and a molecular weight of 515.57 g/mol. Its IUPAC name is 5-(2-methoxyanilino)-7-[(4-methoxyphenyl)methylamino]-N-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-(2-methoxyanilino)-7-[(4-methoxyphenyl)methylamino]-N-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID175879702
Molecular FormulaC27H29N7O4
Molecular Weight515.57 g/mol
Exact Mass515.23
IUPAC Name5-(2-methoxyanilino)-7-[(4-methoxyphenyl)methylamino]-N-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(CNc2cc(Nc3ccccc3OC)nc3c(C(=O)N[C@@H]4CCN(C)C4=O)cnn23)cc1
InChIInChI=1S/C27H29N7O4/c1-33-13-12-21(27(33)36)31-26(35)19-16-29-34-24(28-15-17-8-10-18(37-2)11-9-17)14-23(32-25(19)34)30-20-6-4-5-7-22(20)38-3/h4-11,14,16,21,28H,12-13,15H2,1-3H3,(H,30,32)(H,31,35)/t21-/m1/s1
InChIKeyKCEVHYWOBZRRFC-OAQYLSRUSA-N
XLogP3.06
TPSA122.12 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.57
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

(3R)-3-[1-[5-(2-ethoxyanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethenylamino]-1-methylpyrrolidin-2-one
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2-(2-methoxyanilino)-N-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]benzamide
CID 124625314
N-(2,2-dimethylbutyl)-5-(2-methoxyanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 165004932
methyl 2-[[3-(cyclopropylcarbamoyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]benzoate
CID 154678689
CID 142523922
CID 142523922
2-methoxy-N-(1-methyl-2-oxoazepan-3-yl)benzamide
CID 53384965
N-[(1S,2S)-2-hydroxycyclobutyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449157
N-[(1S,3S)-3-hydroxycyclopentyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146383309
N-[(1S)-2-fluorocycloprop-2-en-1-yl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(2-morpholin-4-ylethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137450129
N-(1-methyl-2-oxopyrrolidin-3-yl)-2-(propylamino)benzamide
CID 106257709
N-[(1R,2S)-2-fluorocyclopropyl]-5-[[1-[(1R,2R)-2-methoxycyclopentyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449388
N-[(2R)-2-methoxycyclobutyl]-5-[[1-[(1S,2S)-2-methoxycyclopropyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449835

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyanilino)-7-[(4-methoxyphenyl)methylamino]-N-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-(2-methoxyanilino)-7-[(4-methoxyphenyl)methylamino]-N-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 175879702) is 5-(2-methoxyanilino)-7-[(4-methoxyphenyl)methylamino]-N-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-(2-methoxyanilino)-7-[(4-methoxyphenyl)methylamino]-N-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-(2-methoxyanilino)-7-[(4-methoxyphenyl)methylamino]-N-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1ccc(CNc2cc(Nc3ccccc3OC)nc3c(C(=O)N[C@@H]4CCN(C)C4=O)cnn23)cc1.
What is the InChIKey of 5-(2-methoxyanilino)-7-[(4-methoxyphenyl)methylamino]-N-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is KCEVHYWOBZRRFC-OAQYLSRUSA-N. The full InChI is InChI=1S/C27H29N7O4/c1-33-13-12-21(27(33)36)31-26(35)19-16-29-34-24(28-15-17-8-10-18(37-2)11-9-17)14-23(32-25(19)34)30-20-6-4-5-7-22(20)38-3/h4-11,14,16,21,28H,12-13,15H2,1-3H3,(H,30,32)(H,31,35)/t21-/m1/s1.
What are the key properties of 5-(2-methoxyanilino)-7-[(4-methoxyphenyl)methylamino]-N-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-(2-methoxyanilino)-7-[(4-methoxyphenyl)methylamino]-N-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 515.57 g/mol, XLogP of 3.06, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyanilino)-7-[(4-methoxyphenyl)methylamino]-N-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 175879702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).