1-cyclohexyl-N-(1-ethylpyrazol-4-yl)-5-methoxy-2-methylindole-3-carboxamide

C22H28N4O2 — CID 112820627

IUPAC1-cyclohexyl-N-(1-ethylpyrazol-4-yl)-5-methoxy-2-methylindole-3-carboxamide
SMILESCCn1cc(NC(=O)c2c(C)n(C3CCCCC3)c3ccc(OC)cc23)cn1
InChIInChI=1S/C22H28N4O2/c1-4-25-14-16(13-23-25)24-22(27)21-15(2)26(17-8-6-5-7-9-17)20-11-10-18(28-3)12-19(20)21/h10-14,17H,4-9H2,1-3H3,(H,24,27)
InChIKeyQHUASNYZJFJEPL-UHFFFAOYSA-N
MW380.49 g/mol
LogP4.93
Rot. Bonds5

About 1-cyclohexyl-N-(1-ethylpyrazol-4-yl)-5-methoxy-2-methylindole-3-carboxamide

1-cyclohexyl-N-(1-ethylpyrazol-4-yl)-5-methoxy-2-methylindole-3-carboxamide (PubChem CID 112820627) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 1-cyclohexyl-N-(1-ethylpyrazol-4-yl)-5-methoxy-2-methylindole-3-carboxamide.

Molecular Properties

Compound Name1-cyclohexyl-N-(1-ethylpyrazol-4-yl)-5-methoxy-2-methylindole-3-carboxamide
PubChem CID112820627
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name1-cyclohexyl-N-(1-ethylpyrazol-4-yl)-5-methoxy-2-methylindole-3-carboxamide
SMILESCCn1cc(NC(=O)c2c(C)n(C3CCCCC3)c3ccc(OC)cc23)cn1
InChIInChI=1S/C22H28N4O2/c1-4-25-14-16(13-23-25)24-22(27)21-15(2)26(17-8-6-5-7-9-17)20-11-10-18(28-3)12-19(20)21/h10-14,17H,4-9H2,1-3H3,(H,24,27)
InChIKeyQHUASNYZJFJEPL-UHFFFAOYSA-N
XLogP4.93
TPSA61.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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1-cyclopropyl-5-methoxy-2-methyl-N-(5-methylhexan-2-yl)indole-3-carboxamide
CID 17429408
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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-(1-ethylpyrazol-4-yl)-5-methoxy-2-methylindole-3-carboxamide?
The IUPAC name of 1-cyclohexyl-N-(1-ethylpyrazol-4-yl)-5-methoxy-2-methylindole-3-carboxamide (CID 112820627) is 1-cyclohexyl-N-(1-ethylpyrazol-4-yl)-5-methoxy-2-methylindole-3-carboxamide.
What is the SMILES notation for 1-cyclohexyl-N-(1-ethylpyrazol-4-yl)-5-methoxy-2-methylindole-3-carboxamide?
The canonical SMILES for 1-cyclohexyl-N-(1-ethylpyrazol-4-yl)-5-methoxy-2-methylindole-3-carboxamide is CCn1cc(NC(=O)c2c(C)n(C3CCCCC3)c3ccc(OC)cc23)cn1.
What is the InChIKey of 1-cyclohexyl-N-(1-ethylpyrazol-4-yl)-5-methoxy-2-methylindole-3-carboxamide?
The InChIKey is QHUASNYZJFJEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-4-25-14-16(13-23-25)24-22(27)21-15(2)26(17-8-6-5-7-9-17)20-11-10-18(28-3)12-19(20)21/h10-14,17H,4-9H2,1-3H3,(H,24,27).
What are the key properties of 1-cyclohexyl-N-(1-ethylpyrazol-4-yl)-5-methoxy-2-methylindole-3-carboxamide?
1-cyclohexyl-N-(1-ethylpyrazol-4-yl)-5-methoxy-2-methylindole-3-carboxamide has a molecular weight of 380.49 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-(1-ethylpyrazol-4-yl)-5-methoxy-2-methylindole-3-carboxamide is sourced from PubChem (CID 112820627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).