5-[5-(4-fluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]-3,4-dihydropyridine-2-carboxamide

C19H20FN5O2 — CID 156810894

IUPAC5-[5-(4-fluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]-3,4-dihydropyridine-2-carboxamide
SMILESNC(=O)C1=NC=C(n2ccc3cc(C(=O)N4CCC(F)CC4)cnc32)CC1
InChIInChI=1S/C19H20FN5O2/c20-14-4-6-24(7-5-14)19(27)13-9-12-3-8-25(18(12)23-10-13)15-1-2-16(17(21)26)22-11-15/h3,8-11,14H,1-2,4-7H2,(H2,21,26)
InChIKeyLJISKYFEZJOHNT-UHFFFAOYSA-N
MW369.40 g/mol
LogP2.13
Rot. Bonds3

About 5-[5-(4-fluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]-3,4-dihydropyridine-2-carboxamide

5-[5-(4-fluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]-3,4-dihydropyridine-2-carboxamide (PubChem CID 156810894) has the molecular formula C19H20FN5O2 and a molecular weight of 369.40 g/mol. Its IUPAC name is 5-[5-(4-fluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]-3,4-dihydropyridine-2-carboxamide.

Molecular Properties

Compound Name5-[5-(4-fluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]-3,4-dihydropyridine-2-carboxamide
PubChem CID156810894
Molecular FormulaC19H20FN5O2
Molecular Weight369.40 g/mol
Exact Mass369.16
IUPAC Name5-[5-(4-fluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]-3,4-dihydropyridine-2-carboxamide
SMILESNC(=O)C1=NC=C(n2ccc3cc(C(=O)N4CCC(F)CC4)cnc32)CC1
InChIInChI=1S/C19H20FN5O2/c20-14-4-6-24(7-5-14)19(27)13-9-12-3-8-25(18(12)23-10-13)15-1-2-16(17(21)26)22-11-15/h3,8-11,14H,1-2,4-7H2,(H2,21,26)
InChIKeyLJISKYFEZJOHNT-UHFFFAOYSA-N
XLogP2.13
TPSA93.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[5-(4-fluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-2-carboxamide
CID 156811048
4-[5-[(3S)-3-fluoropyrrolidine-1-carbonyl]pyrrolo[2,3-b]pyridin-1-yl]benzoic acid
CID 167082153
4-[3-chloro-5-(4-fluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide
CID 156811062
(1-phenylpyrrolo[2,3-b]pyridin-5-yl)-piperidin-1-ylmethanone
CID 164780325
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)-[1-(4-methoxyphenyl)-3-methylpyrrolo[2,3-b]pyridin-5-yl]methanone
CID 170530613
piperidin-1-yl-(1-pyrimidin-5-ylpyrrolo[2,3-b]pyridin-5-yl)methanone
CID 156810735
[1-(6-amino-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone
CID 156811222
[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone
CID 156811184
(2S)-1-[4-[5-(4-fluoro-4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzoyl]pyrrolidine-2-carboxamide
CID 164956541
4-[3-chloro-5-(4-fluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzaldehyde
CID 163261052
4-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzonitrile
CID 156811294

Frequently Asked Questions

What is the IUPAC name of 5-[5-(4-fluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]-3,4-dihydropyridine-2-carboxamide?
The IUPAC name of 5-[5-(4-fluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]-3,4-dihydropyridine-2-carboxamide (CID 156810894) is 5-[5-(4-fluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]-3,4-dihydropyridine-2-carboxamide.
What is the SMILES notation for 5-[5-(4-fluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]-3,4-dihydropyridine-2-carboxamide?
The canonical SMILES for 5-[5-(4-fluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]-3,4-dihydropyridine-2-carboxamide is NC(=O)C1=NC=C(n2ccc3cc(C(=O)N4CCC(F)CC4)cnc32)CC1.
What is the InChIKey of 5-[5-(4-fluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]-3,4-dihydropyridine-2-carboxamide?
The InChIKey is LJISKYFEZJOHNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5O2/c20-14-4-6-24(7-5-14)19(27)13-9-12-3-8-25(18(12)23-10-13)15-1-2-16(17(21)26)22-11-15/h3,8-11,14H,1-2,4-7H2,(H2,21,26).
What are the key properties of 5-[5-(4-fluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]-3,4-dihydropyridine-2-carboxamide?
5-[5-(4-fluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]-3,4-dihydropyridine-2-carboxamide has a molecular weight of 369.40 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(4-fluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]-3,4-dihydropyridine-2-carboxamide is sourced from PubChem (CID 156810894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).