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

C40H37Cl2FN8O4 — CID 175337540

IUPAC4-[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
SMILESNC(=O)c1ccc(-n2cc(Cl)c3cc(C(=O)N4CCC(F)CC4)cnc32)cc1.NC(=O)c1ccc(-n2cc(Cl)c3cc(C(=O)N4CCCCC4)cnc32)cc1
InChIInChI=1S/C20H18ClFN4O2.C20H19ClN4O2/c21-17-11-26(15-3-1-12(2-4-15)18(23)27)19-16(17)9-13(10-24-19)20(28)25-7-5-14(22)6-8-25;21-17-12-25(15-6-4-13(5-7-15)18(22)26)19-16(17)10-14(11-23-19)20(27)24-8-2-1-3-9-24/h1-4,9-11,14H,5-8H2,(H2,23,27);4-7,10-12H,1-3,8-9H2,(H2,22,26)
InChIKeyKWBNZLQDAUYLTF-UHFFFAOYSA-N
MW783.69 g/mol
LogP6.76
Rot. Bonds6

About 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

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 (PubChem CID 175337540) has the molecular formula C40H37Cl2FN8O4 and a molecular weight of 783.69 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[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
PubChem CID175337540
Molecular FormulaC40H37Cl2FN8O4
Molecular Weight783.69 g/mol
Exact Mass782.23
IUPAC Name4-[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
SMILESNC(=O)c1ccc(-n2cc(Cl)c3cc(C(=O)N4CCC(F)CC4)cnc32)cc1.NC(=O)c1ccc(-n2cc(Cl)c3cc(C(=O)N4CCCCC4)cnc32)cc1
InChIInChI=1S/C20H18ClFN4O2.C20H19ClN4O2/c21-17-11-26(15-3-1-12(2-4-15)18(23)27)19-16(17)9-13(10-24-19)20(28)25-7-5-14(22)6-8-25;21-17-12-25(15-6-4-13(5-7-15)18(22)26)19-16(17)10-14(11-23-19)20(27)24-8-2-1-3-9-24/h1-4,9-11,14H,5-8H2,(H2,23,27);4-7,10-12H,1-3,8-9H2,(H2,22,26)
InChIKeyKWBNZLQDAUYLTF-UHFFFAOYSA-N
XLogP6.76
TPSA162.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500783.69
LogP ≤ 56.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

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]benzaldehyde
CID 163261052
(3-chloro-1-pyridin-3-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-fluoropiperidin-1-yl)methanone
CID 156811309
(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
5-[5-(4-fluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-2-carboxamide
CID 156811048
4-(azacycloundecane-1-carbonyl)benzamide
CID 22253818
5-[5-(4-fluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]-3,4-dihydropyridine-2-carboxamide
CID 156810894
4-[5-[(3S)-3-fluoropyrrolidine-1-carbonyl]pyrrolo[2,3-b]pyridin-1-yl]benzoic acid
CID 167082153
1-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)piperidine-4-carboxamide
CID 36525528
(1-phenylpyrrolo[2,3-b]pyridin-5-yl)-piperidin-1-ylmethanone
CID 164780325
1-(5,6-dichloropyridine-3-carbonyl)piperidine-3-carboxamide
CID 43079586

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is NC(=O)c1ccc(-n2cc(Cl)c3cc(C(=O)N4CCC(F)CC4)cnc32)cc1.NC(=O)c1ccc(-n2cc(Cl)c3cc(C(=O)N4CCCCC4)cnc32)cc1.
What is the InChIKey of 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?
The InChIKey is KWBNZLQDAUYLTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClFN4O2.C20H19ClN4O2/c21-17-11-26(15-3-1-12(2-4-15)18(23)27)19-16(17)9-13(10-24-19)20(28)25-7-5-14(22)6-8-25;21-17-12-25(15-6-4-13(5-7-15)18(22)26)19-16(17)10-14(11-23-19)20(27)24-8-2-1-3-9-24/h1-4,9-11,14H,5-8H2,(H2,23,27);4-7,10-12H,1-3,8-9H2,(H2,22,26).
What are the key properties of 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?
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 has a molecular weight of 783.69 g/mol, XLogP of 6.76, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 175337540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).