N-(4-methoxy-2-pyridinyl)-2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide

C21H19N5O3 — CID 138557499

IUPACN-(4-methoxy-2-pyridinyl)-2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCOc1ccnc(NC(=O)c2c(C)nc3c(-c4ccccc4)c(C)[nH]n3c2=O)c1
InChIInChI=1S/C21H19N5O3/c1-12-18(20(27)24-16-11-15(29-3)9-10-22-16)21(28)26-19(23-12)17(13(2)25-26)14-7-5-4-6-8-14/h4-11,25H,1-3H3,(H,22,24,27)
InChIKeyUJHRXXQNMGXGSS-UHFFFAOYSA-N
MW389.42 g/mol
LogP2.96
Rot. Bonds4

About N-(4-methoxy-2-pyridinyl)-2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide

N-(4-methoxy-2-pyridinyl)-2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 138557499) has the molecular formula C21H19N5O3 and a molecular weight of 389.42 g/mol. Its IUPAC name is N-(4-methoxy-2-pyridinyl)-2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(4-methoxy-2-pyridinyl)-2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID138557499
Molecular FormulaC21H19N5O3
Molecular Weight389.42 g/mol
Exact Mass389.15
IUPAC NameN-(4-methoxy-2-pyridinyl)-2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCOc1ccnc(NC(=O)c2c(C)nc3c(-c4ccccc4)c(C)[nH]n3c2=O)c1
InChIInChI=1S/C21H19N5O3/c1-12-18(20(27)24-16-11-15(29-3)9-10-22-16)21(28)26-19(23-12)17(13(2)25-26)14-7-5-4-6-8-14/h4-11,25H,1-3H3,(H,22,24,27)
InChIKeyUJHRXXQNMGXGSS-UHFFFAOYSA-N
XLogP2.96
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-2-pyridinyl)-2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(4-methoxy-2-pyridinyl)-2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 138557499) is N-(4-methoxy-2-pyridinyl)-2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(4-methoxy-2-pyridinyl)-2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(4-methoxy-2-pyridinyl)-2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide is COc1ccnc(NC(=O)c2c(C)nc3c(-c4ccccc4)c(C)[nH]n3c2=O)c1.
What is the InChIKey of N-(4-methoxy-2-pyridinyl)-2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is UJHRXXQNMGXGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O3/c1-12-18(20(27)24-16-11-15(29-3)9-10-22-16)21(28)26-19(23-12)17(13(2)25-26)14-7-5-4-6-8-14/h4-11,25H,1-3H3,(H,22,24,27).
What are the key properties of N-(4-methoxy-2-pyridinyl)-2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide?
N-(4-methoxy-2-pyridinyl)-2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 389.42 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-2-pyridinyl)-2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 138557499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).