7-(2-methoxyphenyl)-2-methyl-N-(3-morpholin-4-ylpropyl)-3-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide

C28H31N5O3 — CID 46079765

IUPAC7-(2-methoxyphenyl)-2-methyl-N-(3-morpholin-4-ylpropyl)-3-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCOc1ccccc1-c1cc(C(=O)NCCCN2CCOCC2)nc2c(-c3ccccc3)c(C)nn12
InChIInChI=1S/C28H31N5O3/c1-20-26(21-9-4-3-5-10-21)27-30-23(28(34)29-13-8-14-32-15-17-36-18-16-32)19-24(33(27)31-20)22-11-6-7-12-25(22)35-2/h3-7,9-12,19H,8,13-18H2,1-2H3,(H,29,34)
InChIKeyBHPCKTSOYULCNM-UHFFFAOYSA-N
MW485.59 g/mol
LogP3.83
Rot. Bonds8

About 7-(2-methoxyphenyl)-2-methyl-N-(3-morpholin-4-ylpropyl)-3-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide

7-(2-methoxyphenyl)-2-methyl-N-(3-morpholin-4-ylpropyl)-3-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide (PubChem CID 46079765) has the molecular formula C28H31N5O3 and a molecular weight of 485.59 g/mol. Its IUPAC name is 7-(2-methoxyphenyl)-2-methyl-N-(3-morpholin-4-ylpropyl)-3-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name7-(2-methoxyphenyl)-2-methyl-N-(3-morpholin-4-ylpropyl)-3-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide
PubChem CID46079765
Molecular FormulaC28H31N5O3
Molecular Weight485.59 g/mol
Exact Mass485.24
IUPAC Name7-(2-methoxyphenyl)-2-methyl-N-(3-morpholin-4-ylpropyl)-3-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCOc1ccccc1-c1cc(C(=O)NCCCN2CCOCC2)nc2c(-c3ccccc3)c(C)nn12
InChIInChI=1S/C28H31N5O3/c1-20-26(21-9-4-3-5-10-21)27-30-23(28(34)29-13-8-14-32-15-17-36-18-16-32)19-24(33(27)31-20)22-11-6-7-12-25(22)35-2/h3-7,9-12,19H,8,13-18H2,1-2H3,(H,29,34)
InChIKeyBHPCKTSOYULCNM-UHFFFAOYSA-N
XLogP3.83
TPSA80.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.59
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 7-(2-methoxyphenyl)-2-methyl-N-(3-morpholin-4-ylpropyl)-3-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide
CID 2965752
5-(2-methoxy-5-methylphenyl)-1-methyl-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide
CID 110336758
7-(2-fluorophenyl)-N-(2-morpholin-4-ylethyl)-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 42877286
3-methoxy-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide
CID 17462757
5-(3,4-dimethoxyphenyl)-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-3-carboxamide
CID 15999607
[3,5-dimethoxy-4-(3-morpholin-4-ylpropylcarbamoyl)phenyl]carbamic acid
CID 121255435
3-(5-methoxy-1-methyl-1,2,4-triazol-3-yl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 118763152
5-(3-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-3-carboxamide
CID 17252860
N'-[(2-methoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)oxamide
CID 44902502
1,3-dimethyl-N-(4-morpholin-4-ylbutyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55811199
4-(3,4-dimethoxyphenyl)-N-(4-morpholin-4-ylbutyl)-1-phenylpyrazole-3-carboxamide
CID 55847917
N-(3-morpholin-4-ylpropyl)-5,7-diphenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 2298706

Frequently Asked Questions

What is the IUPAC name of 7-(2-methoxyphenyl)-2-methyl-N-(3-morpholin-4-ylpropyl)-3-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The IUPAC name of 7-(2-methoxyphenyl)-2-methyl-N-(3-morpholin-4-ylpropyl)-3-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide (CID 46079765) is 7-(2-methoxyphenyl)-2-methyl-N-(3-morpholin-4-ylpropyl)-3-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide.
What is the SMILES notation for 7-(2-methoxyphenyl)-2-methyl-N-(3-morpholin-4-ylpropyl)-3-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The canonical SMILES for 7-(2-methoxyphenyl)-2-methyl-N-(3-morpholin-4-ylpropyl)-3-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide is COc1ccccc1-c1cc(C(=O)NCCCN2CCOCC2)nc2c(-c3ccccc3)c(C)nn12.
What is the InChIKey of 7-(2-methoxyphenyl)-2-methyl-N-(3-morpholin-4-ylpropyl)-3-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The InChIKey is BHPCKTSOYULCNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N5O3/c1-20-26(21-9-4-3-5-10-21)27-30-23(28(34)29-13-8-14-32-15-17-36-18-16-32)19-24(33(27)31-20)22-11-6-7-12-25(22)35-2/h3-7,9-12,19H,8,13-18H2,1-2H3,(H,29,34).
What are the key properties of 7-(2-methoxyphenyl)-2-methyl-N-(3-morpholin-4-ylpropyl)-3-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
7-(2-methoxyphenyl)-2-methyl-N-(3-morpholin-4-ylpropyl)-3-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide has a molecular weight of 485.59 g/mol, XLogP of 3.83, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methoxyphenyl)-2-methyl-N-(3-morpholin-4-ylpropyl)-3-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 46079765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).