1-(4-cyclopropylimidazol-1-yl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]indole-2-carboxamide

C25H24N8O — CID 175757400

IUPAC1-(4-cyclopropylimidazol-1-yl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]indole-2-carboxamide
SMILESCC(C)n1cnnc1-c1cccc(NC(=O)c2cc3ccccc3n2-n2cnc(C3CC3)c2)n1
InChIInChI=1S/C25H24N8O/c1-16(2)32-15-27-30-24(32)19-7-5-9-23(28-19)29-25(34)22-12-18-6-3-4-8-21(18)33(22)31-13-20(26-14-31)17-10-11-17/h3-9,12-17H,10-11H2,1-2H3,(H,28,29,34)
InChIKeyUXJDDPGXGBHTOU-UHFFFAOYSA-N
MW452.52 g/mol
LogP4.51
Rot. Bonds6

About 1-(4-cyclopropylimidazol-1-yl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]indole-2-carboxamide

1-(4-cyclopropylimidazol-1-yl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]indole-2-carboxamide (PubChem CID 175757400) has the molecular formula C25H24N8O and a molecular weight of 452.52 g/mol. Its IUPAC name is 1-(4-cyclopropylimidazol-1-yl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]indole-2-carboxamide.

Molecular Properties

Compound Name1-(4-cyclopropylimidazol-1-yl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]indole-2-carboxamide
PubChem CID175757400
Molecular FormulaC25H24N8O
Molecular Weight452.52 g/mol
Exact Mass452.21
IUPAC Name1-(4-cyclopropylimidazol-1-yl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]indole-2-carboxamide
SMILESCC(C)n1cnnc1-c1cccc(NC(=O)c2cc3ccccc3n2-n2cnc(C3CC3)c2)n1
InChIInChI=1S/C25H24N8O/c1-16(2)32-15-27-30-24(32)19-7-5-9-23(28-19)29-25(34)22-12-18-6-3-4-8-21(18)33(22)31-13-20(26-14-31)17-10-11-17/h3-9,12-17H,10-11H2,1-2H3,(H,28,29,34)
InChIKeyUXJDDPGXGBHTOU-UHFFFAOYSA-N
XLogP4.51
TPSA95.45 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.52
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopropylimidazol-1-yl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]indole-2-carboxamide?
The IUPAC name of 1-(4-cyclopropylimidazol-1-yl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]indole-2-carboxamide (CID 175757400) is 1-(4-cyclopropylimidazol-1-yl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]indole-2-carboxamide.
What is the SMILES notation for 1-(4-cyclopropylimidazol-1-yl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]indole-2-carboxamide?
The canonical SMILES for 1-(4-cyclopropylimidazol-1-yl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]indole-2-carboxamide is CC(C)n1cnnc1-c1cccc(NC(=O)c2cc3ccccc3n2-n2cnc(C3CC3)c2)n1.
What is the InChIKey of 1-(4-cyclopropylimidazol-1-yl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]indole-2-carboxamide?
The InChIKey is UXJDDPGXGBHTOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N8O/c1-16(2)32-15-27-30-24(32)19-7-5-9-23(28-19)29-25(34)22-12-18-6-3-4-8-21(18)33(22)31-13-20(26-14-31)17-10-11-17/h3-9,12-17H,10-11H2,1-2H3,(H,28,29,34).
What are the key properties of 1-(4-cyclopropylimidazol-1-yl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]indole-2-carboxamide?
1-(4-cyclopropylimidazol-1-yl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]indole-2-carboxamide has a molecular weight of 452.52 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopropylimidazol-1-yl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]indole-2-carboxamide is sourced from PubChem (CID 175757400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).