7-(1H-indol-7-ylamino)-6-(4-phenylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

C27H24N6O3 — CID 67540375

IUPAC7-(1H-indol-7-ylamino)-6-(4-phenylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESO=C(O)c1cnn2c(Nc3cccc4cc[nH]c34)c(C(=O)N3CCC(c4ccccc4)CC3)cnc12
InChIInChI=1S/C27H24N6O3/c34-26(32-13-10-18(11-14-32)17-5-2-1-3-6-17)20-15-29-24-21(27(35)36)16-30-33(24)25(20)31-22-8-4-7-19-9-12-28-23(19)22/h1-9,12,15-16,18,28,31H,10-11,13-14H2,(H,35,36)
InChIKeyOGEWOYTUVBHKEL-UHFFFAOYSA-N
MW480.53 g/mol
LogP4.67
Rot. Bonds5

About 7-(1H-indol-7-ylamino)-6-(4-phenylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

7-(1H-indol-7-ylamino)-6-(4-phenylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (PubChem CID 67540375) has the molecular formula C27H24N6O3 and a molecular weight of 480.53 g/mol. Its IUPAC name is 7-(1H-indol-7-ylamino)-6-(4-phenylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name7-(1H-indol-7-ylamino)-6-(4-phenylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
PubChem CID67540375
Molecular FormulaC27H24N6O3
Molecular Weight480.53 g/mol
Exact Mass480.19
IUPAC Name7-(1H-indol-7-ylamino)-6-(4-phenylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESO=C(O)c1cnn2c(Nc3cccc4cc[nH]c34)c(C(=O)N3CCC(c4ccccc4)CC3)cnc12
InChIInChI=1S/C27H24N6O3/c34-26(32-13-10-18(11-14-32)17-5-2-1-3-6-17)20-15-29-24-21(27(35)36)16-30-33(24)25(20)31-22-8-4-7-19-9-12-28-23(19)22/h1-9,12,15-16,18,28,31H,10-11,13-14H2,(H,35,36)
InChIKeyOGEWOYTUVBHKEL-UHFFFAOYSA-N
XLogP4.67
TPSA115.62 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.53
LogP ≤ 54.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 7-(1H-indol-7-ylamino)-6-(4-phenylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-(1H-indol-7-ylamino)-6-(4-phenylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 7-(1H-indol-7-ylamino)-6-(4-phenylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (CID 67540375) is 7-(1H-indol-7-ylamino)-6-(4-phenylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 7-(1H-indol-7-ylamino)-6-(4-phenylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 7-(1H-indol-7-ylamino)-6-(4-phenylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is O=C(O)c1cnn2c(Nc3cccc4cc[nH]c34)c(C(=O)N3CCC(c4ccccc4)CC3)cnc12.
What is the InChIKey of 7-(1H-indol-7-ylamino)-6-(4-phenylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The InChIKey is OGEWOYTUVBHKEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N6O3/c34-26(32-13-10-18(11-14-32)17-5-2-1-3-6-17)20-15-29-24-21(27(35)36)16-30-33(24)25(20)31-22-8-4-7-19-9-12-28-23(19)22/h1-9,12,15-16,18,28,31H,10-11,13-14H2,(H,35,36).
What are the key properties of 7-(1H-indol-7-ylamino)-6-(4-phenylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
7-(1H-indol-7-ylamino)-6-(4-phenylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid has a molecular weight of 480.53 g/mol, XLogP of 4.67, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1H-indol-7-ylamino)-6-(4-phenylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 67540375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).