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

C31H22N8O2 — CID 53231259

IUPACN-[5-(2-methyl-1H-indole-3-carbonyl)-2-phenyltriazol-4-yl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1[nH]c2ccccc2c1C(=O)c1nn(-c2ccccc2)nc1NC(=O)c1cnn2c(-c3ccccc3)ccnc12
InChIInChI=1S/C31H22N8O2/c1-19-26(22-14-8-9-15-24(22)34-19)28(40)27-29(37-39(36-27)21-12-6-3-7-13-21)35-31(41)23-18-33-38-25(16-17-32-30(23)38)20-10-4-2-5-11-20/h2-18,34H,1H3,(H,35,37,41)
InChIKeyALQFAPDWGRFBPF-UHFFFAOYSA-N
MW538.57 g/mol
LogP5.25
Rot. Bonds6

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

N-[5-(2-methyl-1H-indole-3-carbonyl)-2-phenyltriazol-4-yl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 53231259) has the molecular formula C31H22N8O2 and a molecular weight of 538.57 g/mol. Its IUPAC name is N-[5-(2-methyl-1H-indole-3-carbonyl)-2-phenyltriazol-4-yl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[5-(2-methyl-1H-indole-3-carbonyl)-2-phenyltriazol-4-yl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID53231259
Molecular FormulaC31H22N8O2
Molecular Weight538.57 g/mol
Exact Mass538.19
IUPAC NameN-[5-(2-methyl-1H-indole-3-carbonyl)-2-phenyltriazol-4-yl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1[nH]c2ccccc2c1C(=O)c1nn(-c2ccccc2)nc1NC(=O)c1cnn2c(-c3ccccc3)ccnc12
InChIInChI=1S/C31H22N8O2/c1-19-26(22-14-8-9-15-24(22)34-19)28(40)27-29(37-39(36-27)21-12-6-3-7-13-21)35-31(41)23-18-33-38-25(16-17-32-30(23)38)20-10-4-2-5-11-20/h2-18,34H,1H3,(H,35,37,41)
InChIKeyALQFAPDWGRFBPF-UHFFFAOYSA-N
XLogP5.25
TPSA122.86 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.57
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2-methyl-1H-indole-3-carbonyl)-2-phenyltriazol-4-yl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[5-(2-methyl-1H-indole-3-carbonyl)-2-phenyltriazol-4-yl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 53231259) is N-[5-(2-methyl-1H-indole-3-carbonyl)-2-phenyltriazol-4-yl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[5-(2-methyl-1H-indole-3-carbonyl)-2-phenyltriazol-4-yl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[5-(2-methyl-1H-indole-3-carbonyl)-2-phenyltriazol-4-yl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1[nH]c2ccccc2c1C(=O)c1nn(-c2ccccc2)nc1NC(=O)c1cnn2c(-c3ccccc3)ccnc12.
What is the InChIKey of N-[5-(2-methyl-1H-indole-3-carbonyl)-2-phenyltriazol-4-yl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is ALQFAPDWGRFBPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H22N8O2/c1-19-26(22-14-8-9-15-24(22)34-19)28(40)27-29(37-39(36-27)21-12-6-3-7-13-21)35-31(41)23-18-33-38-25(16-17-32-30(23)38)20-10-4-2-5-11-20/h2-18,34H,1H3,(H,35,37,41).
What are the key properties of N-[5-(2-methyl-1H-indole-3-carbonyl)-2-phenyltriazol-4-yl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[5-(2-methyl-1H-indole-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 5.25, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-methyl-1H-indole-3-carbonyl)-2-phenyltriazol-4-yl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 53231259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).