(2-chlorophenyl)-[3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methanone

C19H16ClN3O — CID 112535017

IUPAC(2-chlorophenyl)-[3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methanone
SMILESO=C(c1ccccc1Cl)n1cc(C2=CCNCC2)c2ncccc21
InChIInChI=1S/C19H16ClN3O/c20-16-5-2-1-4-14(16)19(24)23-12-15(13-7-10-21-11-8-13)18-17(23)6-3-9-22-18/h1-7,9,12,21H,8,10-11H2
InChIKeyCOHKEGRYSMOEDV-UHFFFAOYSA-N
MW337.81 g/mol
LogP3.75
Rot. Bonds2

About (2-chlorophenyl)-[3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methanone

(2-chlorophenyl)-[3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methanone (PubChem CID 112535017) has the molecular formula C19H16ClN3O and a molecular weight of 337.81 g/mol. Its IUPAC name is (2-chlorophenyl)-[3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-[3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methanone
PubChem CID112535017
Molecular FormulaC19H16ClN3O
Molecular Weight337.81 g/mol
Exact Mass337.10
IUPAC Name(2-chlorophenyl)-[3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methanone
SMILESO=C(c1ccccc1Cl)n1cc(C2=CCNCC2)c2ncccc21
InChIInChI=1S/C19H16ClN3O/c20-16-5-2-1-4-14(16)19(24)23-12-15(13-7-10-21-11-8-13)18-17(23)6-3-9-22-18/h1-7,9,12,21H,8,10-11H2
InChIKeyCOHKEGRYSMOEDV-UHFFFAOYSA-N
XLogP3.75
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.81
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-fluorophenyl)-[3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methanone
CID 112535016
3-(4-fluorophenyl)-1-[3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridin-1-yl]propan-1-one
CID 112535094
1-(2-methoxyphenyl)sulfonyl-3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridine
CID 25191238
(2-chlorophenyl)-(4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)methanone
CID 112535615
ethane;3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 142023556
2-[2-chloro-3-(trifluoromethyl)phenoxy]-3-(1,2,3,6-tetrahydropyridin-4-yl)pyridine
CID 143825084
1-[3-(1,2,3,6-tetrahydropyridin-4-yl)indol-1-yl]propan-2-ol
CID 83197731
(2-chloro-3-pyridinyl)-(3-methylpiperazin-1-yl)methanone
CID 71639387
2-chloro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzamide
CID 114693546
6-[6-chloro-3-(1,2,3,6-tetrahydropyridin-4-yl)indol-1-yl]sulfonylquinoline
CID 155561906
N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)quinoline-8-carboxamide
CID 114693848
(3-methylpiperazin-1-yl)-quinolin-8-ylmethanone;dihydrochloride
CID 119578686

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-[3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methanone?
The IUPAC name of (2-chlorophenyl)-[3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methanone (CID 112535017) is (2-chlorophenyl)-[3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methanone.
What is the SMILES notation for (2-chlorophenyl)-[3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methanone?
The canonical SMILES for (2-chlorophenyl)-[3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methanone is O=C(c1ccccc1Cl)n1cc(C2=CCNCC2)c2ncccc21.
What is the InChIKey of (2-chlorophenyl)-[3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methanone?
The InChIKey is COHKEGRYSMOEDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O/c20-16-5-2-1-4-14(16)19(24)23-12-15(13-7-10-21-11-8-13)18-17(23)6-3-9-22-18/h1-7,9,12,21H,8,10-11H2.
What are the key properties of (2-chlorophenyl)-[3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methanone?
(2-chlorophenyl)-[3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methanone has a molecular weight of 337.81 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-[3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methanone is sourced from PubChem (CID 112535017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).