(5-amino-2-methylindol-1-yl)-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)methanone

C17H18N4O — CID 112526157

IUPAC(5-amino-2-methylindol-1-yl)-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)methanone
SMILESCc1cc2cc(N)ccc2n1C(=O)C1CCn2cncc2C1
InChIInChI=1S/C17H18N4O/c1-11-6-13-7-14(18)2-3-16(13)21(11)17(22)12-4-5-20-10-19-9-15(20)8-12/h2-3,6-7,9-10,12H,4-5,8,18H2,1H3
InChIKeyGAPJBEAYEYCJJQ-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.63
Rot. Bonds1

About (5-amino-2-methylindol-1-yl)-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)methanone

(5-amino-2-methylindol-1-yl)-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)methanone (PubChem CID 112526157) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is (5-amino-2-methylindol-1-yl)-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)methanone.

Molecular Properties

Compound Name(5-amino-2-methylindol-1-yl)-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)methanone
PubChem CID112526157
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name(5-amino-2-methylindol-1-yl)-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)methanone
SMILESCc1cc2cc(N)ccc2n1C(=O)C1CCn2cncc2C1
InChIInChI=1S/C17H18N4O/c1-11-6-13-7-14(18)2-3-16(13)21(11)17(22)12-4-5-20-10-19-9-15(20)8-12/h2-3,6-7,9-10,12H,4-5,8,18H2,1H3
InChIKeyGAPJBEAYEYCJJQ-UHFFFAOYSA-N
XLogP2.63
TPSA65.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5-amino-2-methylindol-1-yl)-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)methanone?
The IUPAC name of (5-amino-2-methylindol-1-yl)-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)methanone (CID 112526157) is (5-amino-2-methylindol-1-yl)-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)methanone.
What is the SMILES notation for (5-amino-2-methylindol-1-yl)-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)methanone?
The canonical SMILES for (5-amino-2-methylindol-1-yl)-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)methanone is Cc1cc2cc(N)ccc2n1C(=O)C1CCn2cncc2C1.
What is the InChIKey of (5-amino-2-methylindol-1-yl)-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)methanone?
The InChIKey is GAPJBEAYEYCJJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-11-6-13-7-14(18)2-3-16(13)21(11)17(22)12-4-5-20-10-19-9-15(20)8-12/h2-3,6-7,9-10,12H,4-5,8,18H2,1H3.
What are the key properties of (5-amino-2-methylindol-1-yl)-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)methanone?
(5-amino-2-methylindol-1-yl)-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)methanone has a molecular weight of 294.36 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2-methylindol-1-yl)-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)methanone is sourced from PubChem (CID 112526157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).