5-hydroxy-N-[2-(1-methylpyrazol-4-yl)pentan-2-yl]-1H-indole-2-carboxamide

C18H22N4O2 — CID 144935963

IUPAC5-hydroxy-N-[2-(1-methylpyrazol-4-yl)pentan-2-yl]-1H-indole-2-carboxamide
SMILESCCCC(C)(NC(=O)c1cc2cc(O)ccc2[nH]1)c1cnn(C)c1
InChIInChI=1S/C18H22N4O2/c1-4-7-18(2,13-10-19-22(3)11-13)21-17(24)16-9-12-8-14(23)5-6-15(12)20-16/h5-6,8-11,20,23H,4,7H2,1-3H3,(H,21,24)
InChIKeyYKWSSSMVNKOJIK-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.05
Rot. Bonds5

About 5-hydroxy-N-[2-(1-methylpyrazol-4-yl)pentan-2-yl]-1H-indole-2-carboxamide

5-hydroxy-N-[2-(1-methylpyrazol-4-yl)pentan-2-yl]-1H-indole-2-carboxamide (PubChem CID 144935963) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 5-hydroxy-N-[2-(1-methylpyrazol-4-yl)pentan-2-yl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-hydroxy-N-[2-(1-methylpyrazol-4-yl)pentan-2-yl]-1H-indole-2-carboxamide
PubChem CID144935963
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name5-hydroxy-N-[2-(1-methylpyrazol-4-yl)pentan-2-yl]-1H-indole-2-carboxamide
SMILESCCCC(C)(NC(=O)c1cc2cc(O)ccc2[nH]1)c1cnn(C)c1
InChIInChI=1S/C18H22N4O2/c1-4-7-18(2,13-10-19-22(3)11-13)21-17(24)16-9-12-8-14(23)5-6-15(12)20-16/h5-6,8-11,20,23H,4,7H2,1-3H3,(H,21,24)
InChIKeyYKWSSSMVNKOJIK-UHFFFAOYSA-N
XLogP3.05
TPSA82.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-N-[2-(1-methylpyrazol-4-yl)pentan-2-yl]-1H-indole-2-carboxamide?
The IUPAC name of 5-hydroxy-N-[2-(1-methylpyrazol-4-yl)pentan-2-yl]-1H-indole-2-carboxamide (CID 144935963) is 5-hydroxy-N-[2-(1-methylpyrazol-4-yl)pentan-2-yl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-hydroxy-N-[2-(1-methylpyrazol-4-yl)pentan-2-yl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-hydroxy-N-[2-(1-methylpyrazol-4-yl)pentan-2-yl]-1H-indole-2-carboxamide is CCCC(C)(NC(=O)c1cc2cc(O)ccc2[nH]1)c1cnn(C)c1.
What is the InChIKey of 5-hydroxy-N-[2-(1-methylpyrazol-4-yl)pentan-2-yl]-1H-indole-2-carboxamide?
The InChIKey is YKWSSSMVNKOJIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-4-7-18(2,13-10-19-22(3)11-13)21-17(24)16-9-12-8-14(23)5-6-15(12)20-16/h5-6,8-11,20,23H,4,7H2,1-3H3,(H,21,24).
What are the key properties of 5-hydroxy-N-[2-(1-methylpyrazol-4-yl)pentan-2-yl]-1H-indole-2-carboxamide?
5-hydroxy-N-[2-(1-methylpyrazol-4-yl)pentan-2-yl]-1H-indole-2-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 3.05, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-N-[2-(1-methylpyrazol-4-yl)pentan-2-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 144935963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).