(6-chloroimidazo[1,2-a]pyridin-2-yl)-(2-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone

C20H16ClN5O — CID 72849184

IUPAC(6-chloroimidazo[1,2-a]pyridin-2-yl)-(2-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
SMILESO=C(c1cn2cc(Cl)ccc2n1)N1CCc2nc(-c3ccccc3)[nH]c2C1
InChIInChI=1S/C20H16ClN5O/c21-14-6-7-18-22-17(12-26(18)10-14)20(27)25-9-8-15-16(11-25)24-19(23-15)13-4-2-1-3-5-13/h1-7,10,12H,8-9,11H2,(H,23,24)
InChIKeyGYMHQJLEGJUSCQ-UHFFFAOYSA-N
MW377.84 g/mol
LogP3.58
Rot. Bonds2

About (6-chloroimidazo[1,2-a]pyridin-2-yl)-(2-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone

(6-chloroimidazo[1,2-a]pyridin-2-yl)-(2-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone (PubChem CID 72849184) has the molecular formula C20H16ClN5O and a molecular weight of 377.84 g/mol. Its IUPAC name is (6-chloroimidazo[1,2-a]pyridin-2-yl)-(2-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone.

Molecular Properties

Compound Name(6-chloroimidazo[1,2-a]pyridin-2-yl)-(2-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
PubChem CID72849184
Molecular FormulaC20H16ClN5O
Molecular Weight377.84 g/mol
Exact Mass377.10
IUPAC Name(6-chloroimidazo[1,2-a]pyridin-2-yl)-(2-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
SMILESO=C(c1cn2cc(Cl)ccc2n1)N1CCc2nc(-c3ccccc3)[nH]c2C1
InChIInChI=1S/C20H16ClN5O/c21-14-6-7-18-22-17(12-26(18)10-14)20(27)25-9-8-15-16(11-25)24-19(23-15)13-4-2-1-3-5-13/h1-7,10,12H,8-9,11H2,(H,23,24)
InChIKeyGYMHQJLEGJUSCQ-UHFFFAOYSA-N
XLogP3.58
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.84
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6-chloroimidazo[1,2-a]pyridin-2-yl)-(2-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?
The IUPAC name of (6-chloroimidazo[1,2-a]pyridin-2-yl)-(2-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone (CID 72849184) is (6-chloroimidazo[1,2-a]pyridin-2-yl)-(2-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone.
What is the SMILES notation for (6-chloroimidazo[1,2-a]pyridin-2-yl)-(2-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?
The canonical SMILES for (6-chloroimidazo[1,2-a]pyridin-2-yl)-(2-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone is O=C(c1cn2cc(Cl)ccc2n1)N1CCc2nc(-c3ccccc3)[nH]c2C1.
What is the InChIKey of (6-chloroimidazo[1,2-a]pyridin-2-yl)-(2-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?
The InChIKey is GYMHQJLEGJUSCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN5O/c21-14-6-7-18-22-17(12-26(18)10-14)20(27)25-9-8-15-16(11-25)24-19(23-15)13-4-2-1-3-5-13/h1-7,10,12H,8-9,11H2,(H,23,24).
What are the key properties of (6-chloroimidazo[1,2-a]pyridin-2-yl)-(2-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?
(6-chloroimidazo[1,2-a]pyridin-2-yl)-(2-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone has a molecular weight of 377.84 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloroimidazo[1,2-a]pyridin-2-yl)-(2-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone is sourced from PubChem (CID 72849184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).