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

C22H25N5O2 — CID 46488049

IUPACN-[3-(2-oxoazepan-1-yl)propyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NCCCN1CCCCCC1=O)c1cnn2c(-c3ccccc3)ccnc12
InChIInChI=1S/C22H25N5O2/c28-20-10-5-2-6-14-26(20)15-7-12-24-22(29)18-16-25-27-19(11-13-23-21(18)27)17-8-3-1-4-9-17/h1,3-4,8-9,11,13,16H,2,5-7,10,12,14-15H2,(H,24,29)
InChIKeyXLAZRVNZWHAQMS-UHFFFAOYSA-N
MW391.48 g/mol
LogP2.92
Rot. Bonds6

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

N-[3-(2-oxoazepan-1-yl)propyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 46488049) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is N-[3-(2-oxoazepan-1-yl)propyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(2-oxoazepan-1-yl)propyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID46488049
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC NameN-[3-(2-oxoazepan-1-yl)propyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NCCCN1CCCCCC1=O)c1cnn2c(-c3ccccc3)ccnc12
InChIInChI=1S/C22H25N5O2/c28-20-10-5-2-6-14-26(20)15-7-12-24-22(29)18-16-25-27-19(11-13-23-21(18)27)17-8-3-1-4-9-17/h1,3-4,8-9,11,13,16H,2,5-7,10,12,14-15H2,(H,24,29)
InChIKeyXLAZRVNZWHAQMS-UHFFFAOYSA-N
XLogP2.92
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-cyclohexyloxypropyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 46491033
N-[3-(2-methylimidazol-1-yl)propyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55958474
7-(4-methylphenyl)-N-[3-(5-methylpyrazol-1-yl)propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19327901
2-[3-(2-oxoazepan-1-yl)propylcarbamoyl]pyridine-4-carboxylic acid
CID 122055052
N-[(4-fluorophenyl)methyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 24716902
N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-phenylbenzamide
CID 4787941
2-methoxy-N-[3-(2-oxoazepan-1-yl)propyl]benzamide
CID 78802433
N-(2-hydroxy-2-phenylethyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 75403724
7-(difluoromethyl)-5-(4-methylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 2169020
N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(4-phenylphenyl)acetamide
CID 27258939
7-(3-chlorophenyl)-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 42873348
N-[2-(3,4-dimethoxyphenyl)ethyl]-7-(4-phenylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 46074679

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-oxoazepan-1-yl)propyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[3-(2-oxoazepan-1-yl)propyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 46488049) is N-[3-(2-oxoazepan-1-yl)propyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[3-(2-oxoazepan-1-yl)propyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[3-(2-oxoazepan-1-yl)propyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(NCCCN1CCCCCC1=O)c1cnn2c(-c3ccccc3)ccnc12.
What is the InChIKey of N-[3-(2-oxoazepan-1-yl)propyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is XLAZRVNZWHAQMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c28-20-10-5-2-6-14-26(20)15-7-12-24-22(29)18-16-25-27-19(11-13-23-21(18)27)17-8-3-1-4-9-17/h1,3-4,8-9,11,13,16H,2,5-7,10,12,14-15H2,(H,24,29).
What are the key properties of N-[3-(2-oxoazepan-1-yl)propyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[3-(2-oxoazepan-1-yl)propyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 391.48 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-oxoazepan-1-yl)propyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 46488049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).