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

C22H21N5O2 — CID 158611121

IUPACN-(2-ethyl-4-pyridinyl)-2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCc1cc(NC(=O)c2c(C)nc3c(-c4ccccc4)c(C)[nH]n3c2=O)ccn1
InChIInChI=1S/C22H21N5O2/c1-4-16-12-17(10-11-23-16)25-21(28)19-13(2)24-20-18(15-8-6-5-7-9-15)14(3)26-27(20)22(19)29/h5-12,26H,4H2,1-3H3,(H,23,25,28)
InChIKeySGFITPOROXSXPU-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.52
Rot. Bonds4

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

N-(2-ethyl-4-pyridinyl)-2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 158611121) has the molecular formula C22H21N5O2 and a molecular weight of 387.44 g/mol. Its IUPAC name is N-(2-ethyl-4-pyridinyl)-2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(2-ethyl-4-pyridinyl)-2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID158611121
Molecular FormulaC22H21N5O2
Molecular Weight387.44 g/mol
Exact Mass387.17
IUPAC NameN-(2-ethyl-4-pyridinyl)-2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCc1cc(NC(=O)c2c(C)nc3c(-c4ccccc4)c(C)[nH]n3c2=O)ccn1
InChIInChI=1S/C22H21N5O2/c1-4-16-12-17(10-11-23-16)25-21(28)19-13(2)24-20-18(15-8-6-5-7-9-15)14(3)26-27(20)22(19)29/h5-12,26H,4H2,1-3H3,(H,23,25,28)
InChIKeySGFITPOROXSXPU-UHFFFAOYSA-N
XLogP3.52
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-4-pyridinyl)-2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(2-ethyl-4-pyridinyl)-2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 158611121) is N-(2-ethyl-4-pyridinyl)-2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(2-ethyl-4-pyridinyl)-2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(2-ethyl-4-pyridinyl)-2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide is CCc1cc(NC(=O)c2c(C)nc3c(-c4ccccc4)c(C)[nH]n3c2=O)ccn1.
What is the InChIKey of N-(2-ethyl-4-pyridinyl)-2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is SGFITPOROXSXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2/c1-4-16-12-17(10-11-23-16)25-21(28)19-13(2)24-20-18(15-8-6-5-7-9-15)14(3)26-27(20)22(19)29/h5-12,26H,4H2,1-3H3,(H,23,25,28).
What are the key properties of N-(2-ethyl-4-pyridinyl)-2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide?
N-(2-ethyl-4-pyridinyl)-2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 387.44 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-4-pyridinyl)-2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 158611121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).