(1-methylpyrazolo[4,5-b]indol-4-yl)-phenylmethanone

C17H13N3O — CID 164524647

IUPAC(1-methylpyrazolo[4,5-b]indol-4-yl)-phenylmethanone
SMILESCn1ncc2c1c1ccccc1n2C(=O)c1ccccc1
InChIInChI=1S/C17H13N3O/c1-19-16-13-9-5-6-10-14(13)20(15(16)11-18-19)17(21)12-7-3-2-4-8-12/h2-11H,1H3
InChIKeyULGSHLYEFOFCKW-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.22
Rot. Bonds1

About (1-methylpyrazolo[4,5-b]indol-4-yl)-phenylmethanone

(1-methylpyrazolo[4,5-b]indol-4-yl)-phenylmethanone (PubChem CID 164524647) has the molecular formula C17H13N3O and a molecular weight of 275.31 g/mol. Its IUPAC name is (1-methylpyrazolo[4,5-b]indol-4-yl)-phenylmethanone.

Molecular Properties

Compound Name(1-methylpyrazolo[4,5-b]indol-4-yl)-phenylmethanone
PubChem CID164524647
Molecular FormulaC17H13N3O
Molecular Weight275.31 g/mol
Exact Mass275.11
IUPAC Name(1-methylpyrazolo[4,5-b]indol-4-yl)-phenylmethanone
SMILESCn1ncc2c1c1ccccc1n2C(=O)c1ccccc1
InChIInChI=1S/C17H13N3O/c1-19-16-13-9-5-6-10-14(13)20(15(16)11-18-19)17(21)12-7-3-2-4-8-12/h2-11H,1H3
InChIKeyULGSHLYEFOFCKW-UHFFFAOYSA-N
XLogP3.22
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-methylpyrazolo[4,5-b]indol-4-yl)-phenylmethanone?
The IUPAC name of (1-methylpyrazolo[4,5-b]indol-4-yl)-phenylmethanone (CID 164524647) is (1-methylpyrazolo[4,5-b]indol-4-yl)-phenylmethanone.
What is the SMILES notation for (1-methylpyrazolo[4,5-b]indol-4-yl)-phenylmethanone?
The canonical SMILES for (1-methylpyrazolo[4,5-b]indol-4-yl)-phenylmethanone is Cn1ncc2c1c1ccccc1n2C(=O)c1ccccc1.
What is the InChIKey of (1-methylpyrazolo[4,5-b]indol-4-yl)-phenylmethanone?
The InChIKey is ULGSHLYEFOFCKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O/c1-19-16-13-9-5-6-10-14(13)20(15(16)11-18-19)17(21)12-7-3-2-4-8-12/h2-11H,1H3.
What are the key properties of (1-methylpyrazolo[4,5-b]indol-4-yl)-phenylmethanone?
(1-methylpyrazolo[4,5-b]indol-4-yl)-phenylmethanone has a molecular weight of 275.31 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrazolo[4,5-b]indol-4-yl)-phenylmethanone is sourced from PubChem (CID 164524647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).