(3-ethyl-1H-indol-2-yl)-(4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone

C22H21N5O — CID 50961516

IUPAC(3-ethyl-1H-indol-2-yl)-(4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
SMILESCCc1c(C(=O)N2CCc3[nH]cnc3C2c2cccnc2)[nH]c2ccccc12
InChIInChI=1S/C22H21N5O/c1-2-15-16-7-3-4-8-17(16)26-19(15)22(28)27-11-9-18-20(25-13-24-18)21(27)14-6-5-10-23-12-14/h3-8,10,12-13,21,26H,2,9,11H2,1H3,(H,24,25)
InChIKeyJRSHSGYNQOIKLP-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.64
Rot. Bonds3

About (3-ethyl-1H-indol-2-yl)-(4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone

(3-ethyl-1H-indol-2-yl)-(4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone (PubChem CID 50961516) has the molecular formula C22H21N5O and a molecular weight of 371.44 g/mol. Its IUPAC name is (3-ethyl-1H-indol-2-yl)-(4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone.

Molecular Properties

Compound Name(3-ethyl-1H-indol-2-yl)-(4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
PubChem CID50961516
Molecular FormulaC22H21N5O
Molecular Weight371.44 g/mol
Exact Mass371.17
IUPAC Name(3-ethyl-1H-indol-2-yl)-(4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
SMILESCCc1c(C(=O)N2CCc3[nH]cnc3C2c2cccnc2)[nH]c2ccccc12
InChIInChI=1S/C22H21N5O/c1-2-15-16-7-3-4-8-17(16)26-19(15)22(28)27-11-9-18-20(25-13-24-18)21(27)14-6-5-10-23-12-14/h3-8,10,12-13,21,26H,2,9,11H2,1H3,(H,24,25)
InChIKeyJRSHSGYNQOIKLP-UHFFFAOYSA-N
XLogP3.64
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3-ethyl-1H-indol-2-yl)-(4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?
The IUPAC name of (3-ethyl-1H-indol-2-yl)-(4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone (CID 50961516) is (3-ethyl-1H-indol-2-yl)-(4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone.
What is the SMILES notation for (3-ethyl-1H-indol-2-yl)-(4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?
The canonical SMILES for (3-ethyl-1H-indol-2-yl)-(4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone is CCc1c(C(=O)N2CCc3[nH]cnc3C2c2cccnc2)[nH]c2ccccc12.
What is the InChIKey of (3-ethyl-1H-indol-2-yl)-(4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?
The InChIKey is JRSHSGYNQOIKLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O/c1-2-15-16-7-3-4-8-17(16)26-19(15)22(28)27-11-9-18-20(25-13-24-18)21(27)14-6-5-10-23-12-14/h3-8,10,12-13,21,26H,2,9,11H2,1H3,(H,24,25).
What are the key properties of (3-ethyl-1H-indol-2-yl)-(4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?
(3-ethyl-1H-indol-2-yl)-(4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone has a molecular weight of 371.44 g/mol, XLogP of 3.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-1H-indol-2-yl)-(4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone is sourced from PubChem (CID 50961516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).