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

C19H18BrN3O — CID 110476889

IUPAC(3-bromophenyl)-[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)piperidin-1-yl]methanone
SMILESO=C(c1cccc(Br)c1)N1CCC(c2c[nH]c3cccnc23)CC1
InChIInChI=1S/C19H18BrN3O/c20-15-4-1-3-14(11-15)19(24)23-9-6-13(7-10-23)16-12-22-17-5-2-8-21-18(16)17/h1-5,8,11-13,22H,6-7,9-10H2
InChIKeyZJGVNBAXMCJYEA-UHFFFAOYSA-N
MW384.28 g/mol
LogP4.35
Rot. Bonds2

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

(3-bromophenyl)-[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)piperidin-1-yl]methanone (PubChem CID 110476889) has the molecular formula C19H18BrN3O and a molecular weight of 384.28 g/mol. Its IUPAC name is (3-bromophenyl)-[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-bromophenyl)-[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)piperidin-1-yl]methanone
PubChem CID110476889
Molecular FormulaC19H18BrN3O
Molecular Weight384.28 g/mol
Exact Mass383.06
IUPAC Name(3-bromophenyl)-[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)piperidin-1-yl]methanone
SMILESO=C(c1cccc(Br)c1)N1CCC(c2c[nH]c3cccnc23)CC1
InChIInChI=1S/C19H18BrN3O/c20-15-4-1-3-14(11-15)19(24)23-9-6-13(7-10-23)16-12-22-17-5-2-8-21-18(16)17/h1-5,8,11-13,22H,6-7,9-10H2
InChIKeyZJGVNBAXMCJYEA-UHFFFAOYSA-N
XLogP4.35
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.28
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-hydroxyphenyl)-[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)piperidin-1-yl]methanone
CID 84580016
(3-bromophenyl)-[4-(1H-imidazol-2-yl)piperidin-1-yl]methanone
CID 110725789
N-[3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carbonyl]phenyl]acetamide
CID 51118955
2-(3-chlorophenyl)-1-[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)piperidin-1-yl]ethanone
CID 112533822
(5-chloro-2-methoxyphenyl)-[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)piperidin-1-yl]methanone
CID 84579932
(4-bromophenyl)-[4-(1H-indol-3-yl)piperidin-1-yl]methanone
CID 84558962
3-(3-methoxyphenyl)-1-[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)piperidin-1-yl]propan-1-one
CID 112533887
N-[3-(morpholine-4-carbonyl)phenyl]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carboxamide
CID 154837916
[4-(1H-indol-3-yl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 122190657
(3,4-dichlorophenyl)-[4-(1H-indol-3-yl)piperidin-1-yl]methanone
CID 84558891
[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 113087534
[4-(1H-indol-3-yl)piperidin-1-yl]-[3-(2-methylsulfanylimidazol-1-yl)phenyl]methanone
CID 55823602

Frequently Asked Questions

What is the IUPAC name of (3-bromophenyl)-[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)piperidin-1-yl]methanone?
The IUPAC name of (3-bromophenyl)-[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)piperidin-1-yl]methanone (CID 110476889) is (3-bromophenyl)-[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-bromophenyl)-[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for (3-bromophenyl)-[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)piperidin-1-yl]methanone is O=C(c1cccc(Br)c1)N1CCC(c2c[nH]c3cccnc23)CC1.
What is the InChIKey of (3-bromophenyl)-[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)piperidin-1-yl]methanone?
The InChIKey is ZJGVNBAXMCJYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN3O/c20-15-4-1-3-14(11-15)19(24)23-9-6-13(7-10-23)16-12-22-17-5-2-8-21-18(16)17/h1-5,8,11-13,22H,6-7,9-10H2.
What are the key properties of (3-bromophenyl)-[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)piperidin-1-yl]methanone?
(3-bromophenyl)-[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)piperidin-1-yl]methanone has a molecular weight of 384.28 g/mol, XLogP of 4.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromophenyl)-[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 110476889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).