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

C27H28N8O2 — CID 155671003

IUPAC6-[1-(oxan-4-yl)pyrazol-4-yl]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-indole-2-carboxamide
SMILESCC(C)n1cnnc1-c1cccc(NC(=O)c2cc3ccc(-c4cnn(C5CCOCC5)c4)cc3[nH]2)n1
InChIInChI=1S/C27H28N8O2/c1-17(2)34-16-28-33-26(34)22-4-3-5-25(31-22)32-27(36)24-13-19-7-6-18(12-23(19)30-24)20-14-29-35(15-20)21-8-10-37-11-9-21/h3-7,12-17,21,30H,8-11H2,1-2H3,(H,31,32,36)
InChIKeyRYQBKOZDZJZMKR-UHFFFAOYSA-N
MW496.58 g/mol
LogP4.87
Rot. Bonds6

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

6-[1-(oxan-4-yl)pyrazol-4-yl]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-indole-2-carboxamide (PubChem CID 155671003) has the molecular formula C27H28N8O2 and a molecular weight of 496.58 g/mol. Its IUPAC name is 6-[1-(oxan-4-yl)pyrazol-4-yl]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-[1-(oxan-4-yl)pyrazol-4-yl]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-indole-2-carboxamide
PubChem CID155671003
Molecular FormulaC27H28N8O2
Molecular Weight496.58 g/mol
Exact Mass496.23
IUPAC Name6-[1-(oxan-4-yl)pyrazol-4-yl]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-indole-2-carboxamide
SMILESCC(C)n1cnnc1-c1cccc(NC(=O)c2cc3ccc(-c4cnn(C5CCOCC5)c4)cc3[nH]2)n1
InChIInChI=1S/C27H28N8O2/c1-17(2)34-16-28-33-26(34)22-4-3-5-25(31-22)32-27(36)24-13-19-7-6-18(12-23(19)30-24)20-14-29-35(15-20)21-8-10-37-11-9-21/h3-7,12-17,21,30H,8-11H2,1-2H3,(H,31,32,36)
InChIKeyRYQBKOZDZJZMKR-UHFFFAOYSA-N
XLogP4.87
TPSA115.54 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.58
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(oxan-4-yl)pyrazol-4-yl]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-indole-2-carboxamide?
The IUPAC name of 6-[1-(oxan-4-yl)pyrazol-4-yl]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-indole-2-carboxamide (CID 155671003) is 6-[1-(oxan-4-yl)pyrazol-4-yl]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 6-[1-(oxan-4-yl)pyrazol-4-yl]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-indole-2-carboxamide?
The canonical SMILES for 6-[1-(oxan-4-yl)pyrazol-4-yl]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-indole-2-carboxamide is CC(C)n1cnnc1-c1cccc(NC(=O)c2cc3ccc(-c4cnn(C5CCOCC5)c4)cc3[nH]2)n1.
What is the InChIKey of 6-[1-(oxan-4-yl)pyrazol-4-yl]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-indole-2-carboxamide?
The InChIKey is RYQBKOZDZJZMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N8O2/c1-17(2)34-16-28-33-26(34)22-4-3-5-25(31-22)32-27(36)24-13-19-7-6-18(12-23(19)30-24)20-14-29-35(15-20)21-8-10-37-11-9-21/h3-7,12-17,21,30H,8-11H2,1-2H3,(H,31,32,36).
What are the key properties of 6-[1-(oxan-4-yl)pyrazol-4-yl]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-indole-2-carboxamide?
6-[1-(oxan-4-yl)pyrazol-4-yl]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-indole-2-carboxamide has a molecular weight of 496.58 g/mol, XLogP of 4.87, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(oxan-4-yl)pyrazol-4-yl]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 155671003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).