2-methyl-7-oxo-3-phenyl-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]-1H-pyrazolo[1,5-a]pyrimidine-5-carboxamide

C23H26N6O2 — CID 98139431

IUPAC2-methyl-7-oxo-3-phenyl-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]-1H-pyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCc1nn(C)c(C)c1C[C@H](C)NC(=O)c1cc(=O)n2[nH]c(C)c(-c3ccccc3)c2n1
InChIInChI=1S/C23H26N6O2/c1-13(11-18-14(2)26-28(5)16(18)4)24-23(31)19-12-20(30)29-22(25-19)21(15(3)27-29)17-9-7-6-8-10-17/h6-10,12-13,27H,11H2,1-5H3,(H,24,31)/t13-/m0/s1
InChIKeyJLDLUGXAFFVSSU-ZDUSSCGKSA-N
MW418.50 g/mol
LogP2.71
Rot. Bonds5

About 2-methyl-7-oxo-3-phenyl-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]-1H-pyrazolo[1,5-a]pyrimidine-5-carboxamide

2-methyl-7-oxo-3-phenyl-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]-1H-pyrazolo[1,5-a]pyrimidine-5-carboxamide (PubChem CID 98139431) has the molecular formula C23H26N6O2 and a molecular weight of 418.50 g/mol. Its IUPAC name is 2-methyl-7-oxo-3-phenyl-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]-1H-pyrazolo[1,5-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-methyl-7-oxo-3-phenyl-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]-1H-pyrazolo[1,5-a]pyrimidine-5-carboxamide
PubChem CID98139431
Molecular FormulaC23H26N6O2
Molecular Weight418.50 g/mol
Exact Mass418.21
IUPAC Name2-methyl-7-oxo-3-phenyl-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]-1H-pyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCc1nn(C)c(C)c1C[C@H](C)NC(=O)c1cc(=O)n2[nH]c(C)c(-c3ccccc3)c2n1
InChIInChI=1S/C23H26N6O2/c1-13(11-18-14(2)26-28(5)16(18)4)24-23(31)19-12-20(30)29-22(25-19)21(15(3)27-29)17-9-7-6-8-10-17/h6-10,12-13,27H,11H2,1-5H3,(H,24,31)/t13-/m0/s1
InChIKeyJLDLUGXAFFVSSU-ZDUSSCGKSA-N
XLogP2.71
TPSA97.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-oxo-3-phenyl-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]-1H-pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The IUPAC name of 2-methyl-7-oxo-3-phenyl-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]-1H-pyrazolo[1,5-a]pyrimidine-5-carboxamide (CID 98139431) is 2-methyl-7-oxo-3-phenyl-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]-1H-pyrazolo[1,5-a]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-methyl-7-oxo-3-phenyl-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]-1H-pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The canonical SMILES for 2-methyl-7-oxo-3-phenyl-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]-1H-pyrazolo[1,5-a]pyrimidine-5-carboxamide is Cc1nn(C)c(C)c1C[C@H](C)NC(=O)c1cc(=O)n2[nH]c(C)c(-c3ccccc3)c2n1.
What is the InChIKey of 2-methyl-7-oxo-3-phenyl-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]-1H-pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The InChIKey is JLDLUGXAFFVSSU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C23H26N6O2/c1-13(11-18-14(2)26-28(5)16(18)4)24-23(31)19-12-20(30)29-22(25-19)21(15(3)27-29)17-9-7-6-8-10-17/h6-10,12-13,27H,11H2,1-5H3,(H,24,31)/t13-/m0/s1.
What are the key properties of 2-methyl-7-oxo-3-phenyl-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]-1H-pyrazolo[1,5-a]pyrimidine-5-carboxamide?
2-methyl-7-oxo-3-phenyl-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]-1H-pyrazolo[1,5-a]pyrimidine-5-carboxamide has a molecular weight of 418.50 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-oxo-3-phenyl-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]-1H-pyrazolo[1,5-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 98139431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).