N-[5-(1-methylindole-3-carbonyl)-2-phenyltriazol-4-yl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C31H22N8O2 — CID 53231258

IUPACN-[5-(1-methylindole-3-carbonyl)-2-phenyltriazol-4-yl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCn1cc(C(=O)c2nn(-c3ccccc3)nc2NC(=O)c2cnn3c(-c4ccccc4)ccnc23)c2ccccc21
InChIInChI=1S/C31H22N8O2/c1-37-19-24(22-14-8-9-15-26(22)37)28(40)27-29(36-39(35-27)21-12-6-3-7-13-21)34-31(41)23-18-33-38-25(16-17-32-30(23)38)20-10-4-2-5-11-20/h2-19H,1H3,(H,34,36,41)
InChIKeyJRLLGHLBGRSATL-UHFFFAOYSA-N
MW538.57 g/mol
LogP4.95
Rot. Bonds6

About N-[5-(1-methylindole-3-carbonyl)-2-phenyltriazol-4-yl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[5-(1-methylindole-3-carbonyl)-2-phenyltriazol-4-yl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 53231258) has the molecular formula C31H22N8O2 and a molecular weight of 538.57 g/mol. Its IUPAC name is N-[5-(1-methylindole-3-carbonyl)-2-phenyltriazol-4-yl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[5-(1-methylindole-3-carbonyl)-2-phenyltriazol-4-yl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID53231258
Molecular FormulaC31H22N8O2
Molecular Weight538.57 g/mol
Exact Mass538.19
IUPAC NameN-[5-(1-methylindole-3-carbonyl)-2-phenyltriazol-4-yl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCn1cc(C(=O)c2nn(-c3ccccc3)nc2NC(=O)c2cnn3c(-c4ccccc4)ccnc23)c2ccccc21
InChIInChI=1S/C31H22N8O2/c1-37-19-24(22-14-8-9-15-26(22)37)28(40)27-29(36-39(35-27)21-12-6-3-7-13-21)34-31(41)23-18-33-38-25(16-17-32-30(23)38)20-10-4-2-5-11-20/h2-19H,1H3,(H,34,36,41)
InChIKeyJRLLGHLBGRSATL-UHFFFAOYSA-N
XLogP4.95
TPSA112.00 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.57
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[5-(1-methylindole-3-carbonyl)-2-phenyltriazol-4-yl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide 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 N-[5-(1-methylindole-3-carbonyl)-2-phenyltriazol-4-yl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[5-(1-methylindole-3-carbonyl)-2-phenyltriazol-4-yl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 53231258) is N-[5-(1-methylindole-3-carbonyl)-2-phenyltriazol-4-yl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[5-(1-methylindole-3-carbonyl)-2-phenyltriazol-4-yl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[5-(1-methylindole-3-carbonyl)-2-phenyltriazol-4-yl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide is Cn1cc(C(=O)c2nn(-c3ccccc3)nc2NC(=O)c2cnn3c(-c4ccccc4)ccnc23)c2ccccc21.
What is the InChIKey of N-[5-(1-methylindole-3-carbonyl)-2-phenyltriazol-4-yl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is JRLLGHLBGRSATL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H22N8O2/c1-37-19-24(22-14-8-9-15-26(22)37)28(40)27-29(36-39(35-27)21-12-6-3-7-13-21)34-31(41)23-18-33-38-25(16-17-32-30(23)38)20-10-4-2-5-11-20/h2-19H,1H3,(H,34,36,41).
What are the key properties of N-[5-(1-methylindole-3-carbonyl)-2-phenyltriazol-4-yl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[5-(1-methylindole-3-carbonyl)-2-phenyltriazol-4-yl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 538.57 g/mol, XLogP of 4.95, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1-methylindole-3-carbonyl)-2-phenyltriazol-4-yl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 53231258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).