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

C19H17ClFN3O — CID 155538830

IUPAC[3-(5-chloro-1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)N1CCCC(c2cc3nc(Cl)ccc3[nH]2)C1
InChIInChI=1S/C19H17ClFN3O/c20-18-8-7-15-17(23-18)10-16(22-15)13-2-1-9-24(11-13)19(25)12-3-5-14(21)6-4-12/h3-8,10,13,22H,1-2,9,11H2
InChIKeyZXIFSIFTYUWNHM-UHFFFAOYSA-N
MW357.82 g/mol
LogP4.38
Rot. Bonds2

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

[3-(5-chloro-1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]-(4-fluorophenyl)methanone (PubChem CID 155538830) has the molecular formula C19H17ClFN3O and a molecular weight of 357.82 g/mol. Its IUPAC name is [3-(5-chloro-1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[3-(5-chloro-1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]-(4-fluorophenyl)methanone
PubChem CID155538830
Molecular FormulaC19H17ClFN3O
Molecular Weight357.82 g/mol
Exact Mass357.10
IUPAC Name[3-(5-chloro-1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)N1CCCC(c2cc3nc(Cl)ccc3[nH]2)C1
InChIInChI=1S/C19H17ClFN3O/c20-18-8-7-15-17(23-18)10-16(22-15)13-2-1-9-24(11-13)19(25)12-3-5-14(21)6-4-12/h3-8,10,13,22H,1-2,9,11H2
InChIKeyZXIFSIFTYUWNHM-UHFFFAOYSA-N
XLogP4.38
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.82
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-[1-(3-chlorobenzoyl)-2,3-dihydropyrrolo[3,2-b]pyridin-5-yl]-N-(4-fluorophenyl)cyclobutane-1-carboxamide
CID 142580202
(3-chloro-4-fluorophenyl)-[4-[[3-(5-fluoro-1H-indol-3-yl)propylamino]methyl]piperidin-1-yl]methanone
CID 168298375
(5-chloro-1H-indol-2-yl)[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 4897400
Psn357
CID 56603686
[4-(3-chlorophenyl)piperazin-1-yl]-(5-fluoro-1H-indol-2-yl)methanone
CID 4970031
1-[(2R)-4-benzoyl-2-methyl-piperazin-1-yl]-2-(7-chloro-1H-pyrrolo[3,2-b]pyridin-3-yl)ethane-1,2-dione
CID 5495829
(R)-N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-fluorobenzamide
CID 11163693
(2-(2-chloro-6-fluorobenzyl)-1-phenyl-1H-indol-3-yl)(piperazin-1-yl)methanone
CID 44158647
[2-[(2-Chloro-6-fluorophenyl)methyl]-1-phenylpyrrolo[3,2-c]pyridin-3-yl]-piperazin-1-ylmethanone
CID 44158909
2-benzoyl-1-(4-chlorophenyl)-2,3,4,9-tetrahydro-1H-beta-carboline
CID 46359963
(4-benzoyl-piperazin-1-yl)-2-(7-chloro-1H-pyrrolo[3,2-b]pyridin-3-yl)-ethane-1,2-dione
CID 59693829
1-[(3R)-4-benzoyl-3-methyl-piperazin-1-yl]-2-(7-chloro-1H-pyrrolo[3,2-b]pyridin-3-yl)ethane-1,2-dione
CID 59694032

Frequently Asked Questions

What is the IUPAC name of [3-(5-chloro-1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [3-(5-chloro-1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]-(4-fluorophenyl)methanone (CID 155538830) is [3-(5-chloro-1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [3-(5-chloro-1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [3-(5-chloro-1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]-(4-fluorophenyl)methanone is O=C(c1ccc(F)cc1)N1CCCC(c2cc3nc(Cl)ccc3[nH]2)C1.
What is the InChIKey of [3-(5-chloro-1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]-(4-fluorophenyl)methanone?
The InChIKey is ZXIFSIFTYUWNHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClFN3O/c20-18-8-7-15-17(23-18)10-16(22-15)13-2-1-9-24(11-13)19(25)12-3-5-14(21)6-4-12/h3-8,10,13,22H,1-2,9,11H2.
What are the key properties of [3-(5-chloro-1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]-(4-fluorophenyl)methanone?
[3-(5-chloro-1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]-(4-fluorophenyl)methanone has a molecular weight of 357.82 g/mol, XLogP of 4.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-chloro-1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 155538830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).