(3-chloro-1-pyridin-3-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-fluoropiperidin-1-yl)methanone

C18H16ClFN4O — CID 156811309

IUPAC(3-chloro-1-pyridin-3-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-fluoropiperidin-1-yl)methanone
SMILESO=C(c1cnc2c(c1)c(Cl)cn2-c1cccnc1)N1CCC(F)CC1
InChIInChI=1S/C18H16ClFN4O/c19-16-11-24(14-2-1-5-21-10-14)17-15(16)8-12(9-22-17)18(25)23-6-3-13(20)4-7-23/h1-2,5,8-11,13H,3-4,6-7H2
InChIKeyBUZLQUIGTMPQAP-UHFFFAOYSA-N
MW358.80 g/mol
LogP3.65
Rot. Bonds2

About (3-chloro-1-pyridin-3-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-fluoropiperidin-1-yl)methanone

(3-chloro-1-pyridin-3-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-fluoropiperidin-1-yl)methanone (PubChem CID 156811309) has the molecular formula C18H16ClFN4O and a molecular weight of 358.80 g/mol. Its IUPAC name is (3-chloro-1-pyridin-3-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-fluoropiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3-chloro-1-pyridin-3-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-fluoropiperidin-1-yl)methanone
PubChem CID156811309
Molecular FormulaC18H16ClFN4O
Molecular Weight358.80 g/mol
Exact Mass358.10
IUPAC Name(3-chloro-1-pyridin-3-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-fluoropiperidin-1-yl)methanone
SMILESO=C(c1cnc2c(c1)c(Cl)cn2-c1cccnc1)N1CCC(F)CC1
InChIInChI=1S/C18H16ClFN4O/c19-16-11-24(14-2-1-5-21-10-14)17-15(16)8-12(9-22-17)18(25)23-6-3-13(20)4-7-23/h1-2,5,8-11,13H,3-4,6-7H2
InChIKeyBUZLQUIGTMPQAP-UHFFFAOYSA-N
XLogP3.65
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.80
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-chloro-5-(4-fluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzaldehyde
CID 163261052
4-[3-chloro-5-(4-fluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide
CID 156811062
4-[3-chloro-5-(4-fluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide;4-[3-chloro-5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide
CID 175337540
(4-fluoropiperidin-1-yl)-pyridin-3-ylmethanone
CID 150696190
(4-fluoropiperidin-1-yl)-[1-(4-methoxyphenyl)-3-methylpyrrolo[2,3-b]pyridin-5-yl]methanone
CID 170530613
[3-chloro-1-(4-isocyanophenyl)pyrrolo[2,3-b]pyridin-5-yl]-(4,4-dimethylpiperidin-1-yl)methanone
CID 164983105
[3-[3-(difluoromethoxy)phenyl]imidazo[4,5-b]pyridin-6-yl]-(4-fluoropiperidin-1-yl)methanone
CID 164780332
5-[5-(4-fluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-2-carboxamide
CID 156811048
(3-methylpiperidin-1-yl)-(1-pyridin-3-ylpyrrolo[2,3-b]pyridin-5-yl)methanone
CID 175586985
(3,4-dichlorophenyl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone
CID 39565978
1-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)piperidine-4-carboxamide
CID 36525528
[3-chloro-1-(3-chlorophenyl)indol-5-yl]-piperidin-1-ylmethanone;[3-chloro-1-(6-methylpyrazin-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;3-[1-(3-chlorophenyl)-5-(piperidine-1-carbonyl)benzimidazol-2-yl]propanoic acid;(4-methylpiperidin-1-yl)-(1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)methanone;(4-methylpiperidin-1-yl)-(1-pyridin-3-ylpyrrolo[2,3-b]pyridin-5-yl)methanone
CID 165081724

Frequently Asked Questions

What is the IUPAC name of (3-chloro-1-pyridin-3-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-fluoropiperidin-1-yl)methanone?
The IUPAC name of (3-chloro-1-pyridin-3-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-fluoropiperidin-1-yl)methanone (CID 156811309) is (3-chloro-1-pyridin-3-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-fluoropiperidin-1-yl)methanone.
What is the SMILES notation for (3-chloro-1-pyridin-3-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-fluoropiperidin-1-yl)methanone?
The canonical SMILES for (3-chloro-1-pyridin-3-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-fluoropiperidin-1-yl)methanone is O=C(c1cnc2c(c1)c(Cl)cn2-c1cccnc1)N1CCC(F)CC1.
What is the InChIKey of (3-chloro-1-pyridin-3-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-fluoropiperidin-1-yl)methanone?
The InChIKey is BUZLQUIGTMPQAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClFN4O/c19-16-11-24(14-2-1-5-21-10-14)17-15(16)8-12(9-22-17)18(25)23-6-3-13(20)4-7-23/h1-2,5,8-11,13H,3-4,6-7H2.
What are the key properties of (3-chloro-1-pyridin-3-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-fluoropiperidin-1-yl)methanone?
(3-chloro-1-pyridin-3-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-fluoropiperidin-1-yl)methanone has a molecular weight of 358.80 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-1-pyridin-3-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-fluoropiperidin-1-yl)methanone is sourced from PubChem (CID 156811309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).