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

C26H25N5O3 — CID 93008975

IUPAC7-(3-methoxyphenyl)-N-[(3S)-2-oxoazepan-3-yl]-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)N[C@H]3CCCCNC3=O)nc3cc(-c4ccccc4)nn23)c1
InChIInChI=1S/C26H25N5O3/c1-34-19-11-7-10-18(14-19)23-15-22(26(33)29-20-12-5-6-13-27-25(20)32)28-24-16-21(30-31(23)24)17-8-3-2-4-9-17/h2-4,7-11,14-16,20H,5-6,12-13H2,1H3,(H,27,32)(H,29,33)/t20-/m0/s1
InChIKeyGQLJWLIEADOIBP-FQEVSTJZSA-N
MW455.52 g/mol
LogP3.47
Rot. Bonds5

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

7-(3-methoxyphenyl)-N-[(3S)-2-oxoazepan-3-yl]-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide (PubChem CID 93008975) has the molecular formula C26H25N5O3 and a molecular weight of 455.52 g/mol. Its IUPAC name is 7-(3-methoxyphenyl)-N-[(3S)-2-oxoazepan-3-yl]-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name7-(3-methoxyphenyl)-N-[(3S)-2-oxoazepan-3-yl]-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide
PubChem CID93008975
Molecular FormulaC26H25N5O3
Molecular Weight455.52 g/mol
Exact Mass455.20
IUPAC Name7-(3-methoxyphenyl)-N-[(3S)-2-oxoazepan-3-yl]-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)N[C@H]3CCCCNC3=O)nc3cc(-c4ccccc4)nn23)c1
InChIInChI=1S/C26H25N5O3/c1-34-19-11-7-10-18(14-19)23-15-22(26(33)29-20-12-5-6-13-27-25(20)32)28-24-16-21(30-31(23)24)17-8-3-2-4-9-17/h2-4,7-11,14-16,20H,5-6,12-13H2,1H3,(H,27,32)(H,29,33)/t20-/m0/s1
InChIKeyGQLJWLIEADOIBP-FQEVSTJZSA-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

7-(2-methoxyphenyl)-N-(2-oxoazepan-3-yl)-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 42690229
2-tert-butyl-7-(3-fluorophenyl)-N-(2-oxoazepan-3-yl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 46170341
2-tert-butyl-7-(2-methoxyphenyl)-N-(2-oxoazepan-3-yl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 46079587
3-methoxy-N-(2-oxoazepan-3-yl)benzamide
CID 15069514
2-(4-methoxyphenyl)-N-[(3R)-2-oxoazepan-3-yl]quinoline-4-carboxamide
CID 94130731
ethyl 7-(3-methoxyphenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxylate
CID 42877149
2-(4-chlorophenyl)-7-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 46079483
2-[[5-(3-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-N-(2-oxoazepan-3-yl)-1,3-thiazole-4-carboxamide
CID 3559705
ethyl (3R)-1-[7-(3-methoxyphenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-5-carbonyl]piperidine-3-carboxylate
CID 93008972
N-(1-benzylpiperidin-4-yl)-2-tert-butyl-7-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 46079558
1-benzyl-3-(4-methoxyphenyl)-N-(2-oxoazepan-3-yl)pyrazole-4-carboxamide
CID 55933489
N-benzyl-7-(3-methoxyphenyl)-2-phenyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 46079657

Frequently Asked Questions

What is the IUPAC name of 7-(3-methoxyphenyl)-N-[(3S)-2-oxoazepan-3-yl]-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The IUPAC name of 7-(3-methoxyphenyl)-N-[(3S)-2-oxoazepan-3-yl]-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide (CID 93008975) is 7-(3-methoxyphenyl)-N-[(3S)-2-oxoazepan-3-yl]-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide.
What is the SMILES notation for 7-(3-methoxyphenyl)-N-[(3S)-2-oxoazepan-3-yl]-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The canonical SMILES for 7-(3-methoxyphenyl)-N-[(3S)-2-oxoazepan-3-yl]-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide is COc1cccc(-c2cc(C(=O)N[C@H]3CCCCNC3=O)nc3cc(-c4ccccc4)nn23)c1.
What is the InChIKey of 7-(3-methoxyphenyl)-N-[(3S)-2-oxoazepan-3-yl]-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The InChIKey is GQLJWLIEADOIBP-FQEVSTJZSA-N. The full InChI is InChI=1S/C26H25N5O3/c1-34-19-11-7-10-18(14-19)23-15-22(26(33)29-20-12-5-6-13-27-25(20)32)28-24-16-21(30-31(23)24)17-8-3-2-4-9-17/h2-4,7-11,14-16,20H,5-6,12-13H2,1H3,(H,27,32)(H,29,33)/t20-/m0/s1.
What are the key properties of 7-(3-methoxyphenyl)-N-[(3S)-2-oxoazepan-3-yl]-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
7-(3-methoxyphenyl)-N-[(3S)-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-(3-methoxyphenyl)-N-[(3S)-2-oxoazepan-3-yl]-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 93008975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).