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

C23H22N8O — CID 155671005

IUPAC4-(1-methylpyrazol-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)c2cc3c(-c4cnn(C)c4)cccc3[nH]2)n1
InChIInChI=1S/C23H22N8O/c1-14(2)31-13-24-29-22(31)19-8-5-9-21(27-19)28-23(32)20-10-17-16(6-4-7-18(17)26-20)15-11-25-30(3)12-15/h4-14,26H,1-3H3,(H,27,28,32)
InChIKeyNOQMWRAHALCPKI-UHFFFAOYSA-N
MW426.48 g/mol
LogP4.06
Rot. Bonds5

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

4-(1-methylpyrazol-4-yl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-indole-2-carboxamide (PubChem CID 155671005) has the molecular formula C23H22N8O and a molecular weight of 426.48 g/mol. Its IUPAC name is 4-(1-methylpyrazol-4-yl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name4-(1-methylpyrazol-4-yl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-indole-2-carboxamide
PubChem CID155671005
Molecular FormulaC23H22N8O
Molecular Weight426.48 g/mol
Exact Mass426.19
IUPAC Name4-(1-methylpyrazol-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)c2cc3c(-c4cnn(C)c4)cccc3[nH]2)n1
InChIInChI=1S/C23H22N8O/c1-14(2)31-13-24-29-22(31)19-8-5-9-21(27-19)28-23(32)20-10-17-16(6-4-7-18(17)26-20)15-11-25-30(3)12-15/h4-14,26H,1-3H3,(H,27,28,32)
InChIKeyNOQMWRAHALCPKI-UHFFFAOYSA-N
XLogP4.06
TPSA106.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methylpyrazol-4-yl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-indole-2-carboxamide?
The IUPAC name of 4-(1-methylpyrazol-4-yl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-indole-2-carboxamide (CID 155671005) is 4-(1-methylpyrazol-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 4-(1-methylpyrazol-4-yl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-indole-2-carboxamide?
The canonical SMILES for 4-(1-methylpyrazol-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)c2cc3c(-c4cnn(C)c4)cccc3[nH]2)n1.
What is the InChIKey of 4-(1-methylpyrazol-4-yl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-indole-2-carboxamide?
The InChIKey is NOQMWRAHALCPKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N8O/c1-14(2)31-13-24-29-22(31)19-8-5-9-21(27-19)28-23(32)20-10-17-16(6-4-7-18(17)26-20)15-11-25-30(3)12-15/h4-14,26H,1-3H3,(H,27,28,32).
What are the key properties of 4-(1-methylpyrazol-4-yl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-indole-2-carboxamide?
4-(1-methylpyrazol-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 426.48 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylpyrazol-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 155671005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).