N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-7-pyridin-4-yl-1H-indole-2-carboxamide

C24H21N7O — CID 155670995

IUPACN-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-7-pyridin-4-yl-1H-indole-2-carboxamide
SMILESCC(C)n1cnnc1-c1cccc(NC(=O)c2cc3cccc(-c4ccncc4)c3[nH]2)n1
InChIInChI=1S/C24H21N7O/c1-15(2)31-14-26-30-23(31)19-7-4-8-21(27-19)29-24(32)20-13-17-5-3-6-18(22(17)28-20)16-9-11-25-12-10-16/h3-15,28H,1-2H3,(H,27,29,32)
InChIKeySTCVPQXZSJQICF-UHFFFAOYSA-N
MW423.48 g/mol
LogP4.72
Rot. Bonds5

About N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-7-pyridin-4-yl-1H-indole-2-carboxamide

N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-7-pyridin-4-yl-1H-indole-2-carboxamide (PubChem CID 155670995) has the molecular formula C24H21N7O and a molecular weight of 423.48 g/mol. Its IUPAC name is N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-7-pyridin-4-yl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-7-pyridin-4-yl-1H-indole-2-carboxamide
PubChem CID155670995
Molecular FormulaC24H21N7O
Molecular Weight423.48 g/mol
Exact Mass423.18
IUPAC NameN-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-7-pyridin-4-yl-1H-indole-2-carboxamide
SMILESCC(C)n1cnnc1-c1cccc(NC(=O)c2cc3cccc(-c4ccncc4)c3[nH]2)n1
InChIInChI=1S/C24H21N7O/c1-15(2)31-14-26-30-23(31)19-7-4-8-21(27-19)29-24(32)20-13-17-5-3-6-18(22(17)28-20)16-9-11-25-12-10-16/h3-15,28H,1-2H3,(H,27,29,32)
InChIKeySTCVPQXZSJQICF-UHFFFAOYSA-N
XLogP4.72
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.48
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-7-pyridin-4-yl-1H-indole-2-carboxamide?
The IUPAC name of N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-7-pyridin-4-yl-1H-indole-2-carboxamide (CID 155670995) is N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-7-pyridin-4-yl-1H-indole-2-carboxamide.
What is the SMILES notation for N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-7-pyridin-4-yl-1H-indole-2-carboxamide?
The canonical SMILES for N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-7-pyridin-4-yl-1H-indole-2-carboxamide is CC(C)n1cnnc1-c1cccc(NC(=O)c2cc3cccc(-c4ccncc4)c3[nH]2)n1.
What is the InChIKey of N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-7-pyridin-4-yl-1H-indole-2-carboxamide?
The InChIKey is STCVPQXZSJQICF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N7O/c1-15(2)31-14-26-30-23(31)19-7-4-8-21(27-19)29-24(32)20-13-17-5-3-6-18(22(17)28-20)16-9-11-25-12-10-16/h3-15,28H,1-2H3,(H,27,29,32).
What are the key properties of N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-7-pyridin-4-yl-1H-indole-2-carboxamide?
N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-7-pyridin-4-yl-1H-indole-2-carboxamide has a molecular weight of 423.48 g/mol, XLogP of 4.72, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-7-pyridin-4-yl-1H-indole-2-carboxamide is sourced from PubChem (CID 155670995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).