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

C20H23N7O3 — CID 146451094

IUPAC5-(2-methoxyanilino)-7-(methylamino)-N-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2ccccc2OC)nc2c(C(=O)N[C@@H]3CCN(C)C3=O)cnn12
InChIInChI=1S/C20H23N7O3/c1-21-17-10-16(23-13-6-4-5-7-15(13)30-3)25-18-12(11-22-27(17)18)19(28)24-14-8-9-26(2)20(14)29/h4-7,10-11,14,21H,8-9H2,1-3H3,(H,23,25)(H,24,28)/t14-/m1/s1
InChIKeyYKGAFKZFWIEKPK-CQSZACIVSA-N
MW409.45 g/mol
LogP1.48
Rot. Bonds6

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

5-(2-methoxyanilino)-7-(methylamino)-N-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 146451094) has the molecular formula C20H23N7O3 and a molecular weight of 409.45 g/mol. Its IUPAC name is 5-(2-methoxyanilino)-7-(methylamino)-N-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-(2-methoxyanilino)-7-(methylamino)-N-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID146451094
Molecular FormulaC20H23N7O3
Molecular Weight409.45 g/mol
Exact Mass409.19
IUPAC Name5-(2-methoxyanilino)-7-(methylamino)-N-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2ccccc2OC)nc2c(C(=O)N[C@@H]3CCN(C)C3=O)cnn12
InChIInChI=1S/C20H23N7O3/c1-21-17-10-16(23-13-6-4-5-7-15(13)30-3)25-18-12(11-22-27(17)18)19(28)24-14-8-9-26(2)20(14)29/h4-7,10-11,14,21H,8-9H2,1-3H3,(H,23,25)(H,24,28)/t14-/m1/s1
InChIKeyYKGAFKZFWIEKPK-CQSZACIVSA-N
XLogP1.48
TPSA112.89 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyanilino)-7-(methylamino)-N-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-(2-methoxyanilino)-7-(methylamino)-N-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 146451094) is 5-(2-methoxyanilino)-7-(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-(methylamino)-N-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-(2-methoxyanilino)-7-(methylamino)-N-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2ccccc2OC)nc2c(C(=O)N[C@@H]3CCN(C)C3=O)cnn12.
What is the InChIKey of 5-(2-methoxyanilino)-7-(methylamino)-N-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is YKGAFKZFWIEKPK-CQSZACIVSA-N. The full InChI is InChI=1S/C20H23N7O3/c1-21-17-10-16(23-13-6-4-5-7-15(13)30-3)25-18-12(11-22-27(17)18)19(28)24-14-8-9-26(2)20(14)29/h4-7,10-11,14,21H,8-9H2,1-3H3,(H,23,25)(H,24,28)/t14-/m1/s1.
What are the key properties of 5-(2-methoxyanilino)-7-(methylamino)-N-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-(2-methoxyanilino)-7-(methylamino)-N-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 409.45 g/mol, XLogP of 1.48, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyanilino)-7-(methylamino)-N-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 146451094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).