[4-(3-chlorophenoxy)-1-methylpyrrolo[3,2-c]pyridin-7-yl]-pyrrolidin-1-ylmethanone

C19H18ClN3O2 — CID 71058545

IUPAC[4-(3-chlorophenoxy)-1-methylpyrrolo[3,2-c]pyridin-7-yl]-pyrrolidin-1-ylmethanone
SMILESCn1ccc2c(Oc3cccc(Cl)c3)ncc(C(=O)N3CCCC3)c21
InChIInChI=1S/C19H18ClN3O2/c1-22-10-7-15-17(22)16(19(24)23-8-2-3-9-23)12-21-18(15)25-14-6-4-5-13(20)11-14/h4-7,10-12H,2-3,8-9H2,1H3
InChIKeyDVJFWFYXZAYUGT-UHFFFAOYSA-N
MW355.83 g/mol
LogP4.26
Rot. Bonds3

About [4-(3-chlorophenoxy)-1-methylpyrrolo[3,2-c]pyridin-7-yl]-pyrrolidin-1-ylmethanone

[4-(3-chlorophenoxy)-1-methylpyrrolo[3,2-c]pyridin-7-yl]-pyrrolidin-1-ylmethanone (PubChem CID 71058545) has the molecular formula C19H18ClN3O2 and a molecular weight of 355.83 g/mol. Its IUPAC name is [4-(3-chlorophenoxy)-1-methylpyrrolo[3,2-c]pyridin-7-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[4-(3-chlorophenoxy)-1-methylpyrrolo[3,2-c]pyridin-7-yl]-pyrrolidin-1-ylmethanone
PubChem CID71058545
Molecular FormulaC19H18ClN3O2
Molecular Weight355.83 g/mol
Exact Mass355.11
IUPAC Name[4-(3-chlorophenoxy)-1-methylpyrrolo[3,2-c]pyridin-7-yl]-pyrrolidin-1-ylmethanone
SMILESCn1ccc2c(Oc3cccc(Cl)c3)ncc(C(=O)N3CCCC3)c21
InChIInChI=1S/C19H18ClN3O2/c1-22-10-7-15-17(22)16(19(24)23-8-2-3-9-23)12-21-18(15)25-14-6-4-5-13(20)11-14/h4-7,10-12H,2-3,8-9H2,1H3
InChIKeyDVJFWFYXZAYUGT-UHFFFAOYSA-N
XLogP4.26
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(3-chlorophenoxy)-2-phenylpyrimidin-5-yl]-pyrrolidin-1-ylmethanone
CID 42670092
[4-(4-chloro-2-fluoroanilino)-1-methylpyrrolo[3,2-c]pyridin-7-yl]-piperidin-1-ylmethanone;hydrochloride
CID 68990550
4-(3-chlorophenoxy)-1-methylimidazo[4,5-c]pyridine-7-carboxylic acid
CID 59803122
[4-(3-chloro-4-methoxyanilino)-1-methylpyrrolo[3,2-c]pyridin-7-yl]-piperidin-1-ylmethanone;hydrochloride
CID 68867364
(1,1-dihydroxy-1,4-thiazinan-4-yl)-[1-methyl-4-[3-(trifluoromethoxy)anilino]pyrrolo[3,2-c]pyridin-7-yl]methanone
CID 68867378
[4-(3-chloro-2-fluoroanilino)-1-methylpyrrolo[3,2-c]pyridin-7-yl]-morpholin-4-ylmethanone;hydrochloride
CID 68867452
[1-[(3-chlorophenoxy)methyl]pyrazol-3-yl]-pyrrolidin-1-ylmethanone
CID 4863104
[6-chloro-4-[4-(3-methoxyphenyl)piperazin-1-yl]quinolin-3-yl]-piperidin-1-ylmethanone
CID 71825152
2-(3-chlorophenoxy)-5-fluoropyridine-3-carboxylic acid
CID 67367395
4-(3-chloroanilino)-1-methylpyrrolo[3,2-c]pyridine-7-carboxylic acid;N-methylcyclohexanamine;hydrochloride
CID 68869752
[4-[2-methoxy-5-(trifluoromethyl)anilino]-1-methylpyrrolo[3,2-c]pyridin-7-yl]-piperidin-1-ylmethanone;hydrochloride
CID 68869763
[4-[5-[difluoro(iodo)methyl]-2-methoxyanilino]-1-methylpyrrolo[3,2-c]pyridin-7-yl]-piperidin-1-ylmethanone
CID 162551168

Frequently Asked Questions

What is the IUPAC name of [4-(3-chlorophenoxy)-1-methylpyrrolo[3,2-c]pyridin-7-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [4-(3-chlorophenoxy)-1-methylpyrrolo[3,2-c]pyridin-7-yl]-pyrrolidin-1-ylmethanone (CID 71058545) is [4-(3-chlorophenoxy)-1-methylpyrrolo[3,2-c]pyridin-7-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [4-(3-chlorophenoxy)-1-methylpyrrolo[3,2-c]pyridin-7-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [4-(3-chlorophenoxy)-1-methylpyrrolo[3,2-c]pyridin-7-yl]-pyrrolidin-1-ylmethanone is Cn1ccc2c(Oc3cccc(Cl)c3)ncc(C(=O)N3CCCC3)c21.
What is the InChIKey of [4-(3-chlorophenoxy)-1-methylpyrrolo[3,2-c]pyridin-7-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is DVJFWFYXZAYUGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2/c1-22-10-7-15-17(22)16(19(24)23-8-2-3-9-23)12-21-18(15)25-14-6-4-5-13(20)11-14/h4-7,10-12H,2-3,8-9H2,1H3.
What are the key properties of [4-(3-chlorophenoxy)-1-methylpyrrolo[3,2-c]pyridin-7-yl]-pyrrolidin-1-ylmethanone?
[4-(3-chlorophenoxy)-1-methylpyrrolo[3,2-c]pyridin-7-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 355.83 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chlorophenoxy)-1-methylpyrrolo[3,2-c]pyridin-7-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 71058545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).