6-methoxy-N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]-1H-indole-2-carboxamide

C20H19N5O2 — CID 122245900

IUPAC6-methoxy-N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]-1H-indole-2-carboxamide
SMILESCOc1ccc2cc(C(=O)NCc3ccnc(-c4cnn(C)c4)c3)[nH]c2c1
InChIInChI=1S/C20H19N5O2/c1-25-12-15(11-23-25)17-7-13(5-6-21-17)10-22-20(26)19-8-14-3-4-16(27-2)9-18(14)24-19/h3-9,11-12,24H,10H2,1-2H3,(H,22,26)
InChIKeyBZAODWIBZBUBHN-UHFFFAOYSA-N
MW361.41 g/mol
LogP2.90
Rot. Bonds5

About 6-methoxy-N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]-1H-indole-2-carboxamide

6-methoxy-N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]-1H-indole-2-carboxamide (PubChem CID 122245900) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is 6-methoxy-N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]-1H-indole-2-carboxamide
PubChem CID122245900
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC Name6-methoxy-N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]-1H-indole-2-carboxamide
SMILESCOc1ccc2cc(C(=O)NCc3ccnc(-c4cnn(C)c4)c3)[nH]c2c1
InChIInChI=1S/C20H19N5O2/c1-25-12-15(11-23-25)17-7-13(5-6-21-17)10-22-20(26)19-8-14-3-4-16(27-2)9-18(14)24-19/h3-9,11-12,24H,10H2,1-2H3,(H,22,26)
InChIKeyBZAODWIBZBUBHN-UHFFFAOYSA-N
XLogP2.90
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]-1H-indole-2-carboxamide?
The IUPAC name of 6-methoxy-N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]-1H-indole-2-carboxamide (CID 122245900) is 6-methoxy-N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 6-methoxy-N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]-1H-indole-2-carboxamide?
The canonical SMILES for 6-methoxy-N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]-1H-indole-2-carboxamide is COc1ccc2cc(C(=O)NCc3ccnc(-c4cnn(C)c4)c3)[nH]c2c1.
What is the InChIKey of 6-methoxy-N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]-1H-indole-2-carboxamide?
The InChIKey is BZAODWIBZBUBHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c1-25-12-15(11-23-25)17-7-13(5-6-21-17)10-22-20(26)19-8-14-3-4-16(27-2)9-18(14)24-19/h3-9,11-12,24H,10H2,1-2H3,(H,22,26).
What are the key properties of 6-methoxy-N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]-1H-indole-2-carboxamide?
6-methoxy-N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]-1H-indole-2-carboxamide has a molecular weight of 361.41 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 122245900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).