7-(2-methoxyphenyl)-N-(2-oxoazepan-3-yl)-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide

C26H25N5O3 — CID 42690229

IUPAC7-(2-methoxyphenyl)-N-(2-oxoazepan-3-yl)-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCOc1ccccc1-c1cc(C(=O)NC2CCCCNC2=O)nc2cc(-c3ccccc3)nn12
InChIInChI=1S/C26H25N5O3/c1-34-23-13-6-5-11-18(23)22-15-21(26(33)29-19-12-7-8-14-27-25(19)32)28-24-16-20(30-31(22)24)17-9-3-2-4-10-17/h2-6,9-11,13,15-16,19H,7-8,12,14H2,1H3,(H,27,32)(H,29,33)
InChIKeyGNIAQOSFJOMKFC-UHFFFAOYSA-N
MW455.52 g/mol
LogP3.47
Rot. Bonds5

About 7-(2-methoxyphenyl)-N-(2-oxoazepan-3-yl)-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide

7-(2-methoxyphenyl)-N-(2-oxoazepan-3-yl)-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide (PubChem CID 42690229) has the molecular formula C26H25N5O3 and a molecular weight of 455.52 g/mol. Its IUPAC name is 7-(2-methoxyphenyl)-N-(2-oxoazepan-3-yl)-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name7-(2-methoxyphenyl)-N-(2-oxoazepan-3-yl)-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide
PubChem CID42690229
Molecular FormulaC26H25N5O3
Molecular Weight455.52 g/mol
Exact Mass455.20
IUPAC Name7-(2-methoxyphenyl)-N-(2-oxoazepan-3-yl)-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCOc1ccccc1-c1cc(C(=O)NC2CCCCNC2=O)nc2cc(-c3ccccc3)nn12
InChIInChI=1S/C26H25N5O3/c1-34-23-13-6-5-11-18(23)22-15-21(26(33)29-19-12-7-8-14-27-25(19)32)28-24-16-20(30-31(22)24)17-9-3-2-4-10-17/h2-6,9-11,13,15-16,19H,7-8,12,14H2,1H3,(H,27,32)(H,29,33)
InChIKeyGNIAQOSFJOMKFC-UHFFFAOYSA-N
XLogP3.47
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.52
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-tert-butyl-7-(2-methoxyphenyl)-N-(2-oxoazepan-3-yl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 46079587
7-(3-methoxyphenyl)-N-[(3S)-2-oxoazepan-3-yl]-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 93008975
2-tert-butyl-7-(3-fluorophenyl)-N-(2-oxoazepan-3-yl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 46170341
[7-(2-methoxyphenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl]-piperidin-1-ylmethanone
CID 42877309
3-[1-[7-(2-methoxyphenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-5-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 46079696
2-(4-chlorophenyl)-7-(2-methoxyphenyl)-N-[(1S)-1-phenylethyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 93009006
2-(4-methoxyphenyl)-N-[(3R)-2-oxoazepan-3-yl]quinoline-4-carboxamide
CID 94130731
2-[(2-methoxyphenyl)methyl]-N-[(3R)-2-oxopiperidin-3-yl]pyridine-4-carboxamide
CID 125023469
2-[(2-methoxyphenyl)methyl]-N-(2-oxopiperidin-3-yl)pyridine-4-carboxamide
CID 110090697
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[7-(2-methoxyphenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl]methanone
CID 42877320
1-benzyl-3-(4-methoxyphenyl)-N-(2-oxoazepan-3-yl)pyrazole-4-carboxamide
CID 55933489
3-methoxy-N-(2-oxoazepan-3-yl)benzamide
CID 15069514

Frequently Asked Questions

What is the IUPAC name of 7-(2-methoxyphenyl)-N-(2-oxoazepan-3-yl)-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The IUPAC name of 7-(2-methoxyphenyl)-N-(2-oxoazepan-3-yl)-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide (CID 42690229) is 7-(2-methoxyphenyl)-N-(2-oxoazepan-3-yl)-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide.
What is the SMILES notation for 7-(2-methoxyphenyl)-N-(2-oxoazepan-3-yl)-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The canonical SMILES for 7-(2-methoxyphenyl)-N-(2-oxoazepan-3-yl)-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide is COc1ccccc1-c1cc(C(=O)NC2CCCCNC2=O)nc2cc(-c3ccccc3)nn12.
What is the InChIKey of 7-(2-methoxyphenyl)-N-(2-oxoazepan-3-yl)-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The InChIKey is GNIAQOSFJOMKFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O3/c1-34-23-13-6-5-11-18(23)22-15-21(26(33)29-19-12-7-8-14-27-25(19)32)28-24-16-20(30-31(22)24)17-9-3-2-4-10-17/h2-6,9-11,13,15-16,19H,7-8,12,14H2,1H3,(H,27,32)(H,29,33).
What are the key properties of 7-(2-methoxyphenyl)-N-(2-oxoazepan-3-yl)-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
7-(2-methoxyphenyl)-N-(2-oxoazepan-3-yl)-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide has a molecular weight of 455.52 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methoxyphenyl)-N-(2-oxoazepan-3-yl)-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 42690229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).