(5-chloro-2-methoxyphenyl)-[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)piperidin-1-yl]methanone

C20H20ClN3O2 — CID 84579932

IUPAC(5-chloro-2-methoxyphenyl)-[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)piperidin-1-yl]methanone
SMILESCOc1ccc(Cl)cc1C(=O)N1CCC(c2c[nH]c3cccnc23)CC1
InChIInChI=1S/C20H20ClN3O2/c1-26-18-5-4-14(21)11-15(18)20(25)24-9-6-13(7-10-24)16-12-23-17-3-2-8-22-19(16)17/h2-5,8,11-13,23H,6-7,9-10H2,1H3
InChIKeyIHXRNSUPQCOJFO-UHFFFAOYSA-N
MW369.85 g/mol
LogP4.24
Rot. Bonds3

About (5-chloro-2-methoxyphenyl)-[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)piperidin-1-yl]methanone

(5-chloro-2-methoxyphenyl)-[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)piperidin-1-yl]methanone (PubChem CID 84579932) has the molecular formula C20H20ClN3O2 and a molecular weight of 369.85 g/mol. Its IUPAC name is (5-chloro-2-methoxyphenyl)-[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-chloro-2-methoxyphenyl)-[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)piperidin-1-yl]methanone
PubChem CID84579932
Molecular FormulaC20H20ClN3O2
Molecular Weight369.85 g/mol
Exact Mass369.12
IUPAC Name(5-chloro-2-methoxyphenyl)-[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)piperidin-1-yl]methanone
SMILESCOc1ccc(Cl)cc1C(=O)N1CCC(c2c[nH]c3cccnc23)CC1
InChIInChI=1S/C20H20ClN3O2/c1-26-18-5-4-14(21)11-15(18)20(25)24-9-6-13(7-10-24)16-12-23-17-3-2-8-22-19(16)17/h2-5,8,11-13,23H,6-7,9-10H2,1H3
InChIKeyIHXRNSUPQCOJFO-UHFFFAOYSA-N
XLogP4.24
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (5-chloro-2-methoxyphenyl)-[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)piperidin-1-yl]methanone with MolForge

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Related Compounds

(2-hydroxyphenyl)-[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)piperidin-1-yl]methanone
CID 84580016
(4-chloro-2-methoxyphenyl)-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methanone
CID 136579367
2-(3-chlorophenyl)-1-[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)piperidin-1-yl]ethanone
CID 112533822
(3-bromophenyl)-[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)piperidin-1-yl]methanone
CID 110476889
[4-(1H-indol-3-yl)piperidin-1-yl]-(2-methoxyphenyl)methanone
CID 84559095
3-(3-methoxyphenyl)-1-[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)piperidin-1-yl]propan-1-one
CID 112533887
1-(5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide
CID 2473565
(2-methoxy-5-methylphenyl)-[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 112535065
[4-(bromomethyl)piperidin-1-yl]-(5-chloro-2-methoxyphenyl)methanone
CID 80677434
1-(5-chloro-2-methoxybenzoyl)piperidine-4-carbonitrile
CID 49064321
(5-chloro-2-methoxyphenyl)-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90617163
5-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-4-cyclopropyl-2-methyl-1,2,4-triazol-3-one
CID 73167665

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methoxyphenyl)-[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)piperidin-1-yl]methanone?
The IUPAC name of (5-chloro-2-methoxyphenyl)-[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)piperidin-1-yl]methanone (CID 84579932) is (5-chloro-2-methoxyphenyl)-[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (5-chloro-2-methoxyphenyl)-[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for (5-chloro-2-methoxyphenyl)-[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)piperidin-1-yl]methanone is COc1ccc(Cl)cc1C(=O)N1CCC(c2c[nH]c3cccnc23)CC1.
What is the InChIKey of (5-chloro-2-methoxyphenyl)-[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)piperidin-1-yl]methanone?
The InChIKey is IHXRNSUPQCOJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O2/c1-26-18-5-4-14(21)11-15(18)20(25)24-9-6-13(7-10-24)16-12-23-17-3-2-8-22-19(16)17/h2-5,8,11-13,23H,6-7,9-10H2,1H3.
What are the key properties of (5-chloro-2-methoxyphenyl)-[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)piperidin-1-yl]methanone?
(5-chloro-2-methoxyphenyl)-[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)piperidin-1-yl]methanone has a molecular weight of 369.85 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methoxyphenyl)-[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 84579932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).