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

C19H18FN3O — CID 110234470

IUPAC(3-fluorophenyl)-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)piperidin-1-yl]methanone
SMILESO=C(c1cccc(F)c1)N1CCCC(c2cc3cccnc3[nH]2)C1
InChIInChI=1S/C19H18FN3O/c20-16-7-1-4-14(10-16)19(24)23-9-3-6-15(12-23)17-11-13-5-2-8-21-18(13)22-17/h1-2,4-5,7-8,10-11,15H,3,6,9,12H2,(H,21,22)
InChIKeyZRHLOPRSZPZVMR-UHFFFAOYSA-N
MW323.37 g/mol
LogP3.72
Rot. Bonds2

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

(3-fluorophenyl)-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)piperidin-1-yl]methanone (PubChem CID 110234470) has the molecular formula C19H18FN3O and a molecular weight of 323.37 g/mol. Its IUPAC name is (3-fluorophenyl)-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-fluorophenyl)-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)piperidin-1-yl]methanone
PubChem CID110234470
Molecular FormulaC19H18FN3O
Molecular Weight323.37 g/mol
Exact Mass323.14
IUPAC Name(3-fluorophenyl)-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)piperidin-1-yl]methanone
SMILESO=C(c1cccc(F)c1)N1CCCC(c2cc3cccnc3[nH]2)C1
InChIInChI=1S/C19H18FN3O/c20-16-7-1-4-14(10-16)19(24)23-9-3-6-15(12-23)17-11-13-5-2-8-21-18(13)22-17/h1-2,4-5,7-8,10-11,15H,3,6,9,12H2,(H,21,22)
InChIKeyZRHLOPRSZPZVMR-UHFFFAOYSA-N
XLogP3.72
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

pyrimidin-5-yl-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)piperidin-1-yl]methanone
CID 110258753
N,N-dimethyl-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)piperidine-1-carboxamide
CID 165433208
(3-fluorophenyl)-[3-[2-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 53137680
3-methoxy-1-[(3R)-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)piperidin-1-yl]propan-1-one
CID 92610992
[(3S)-3-[3-(3-fluorophenoxy)-1H-pyrazol-5-yl]piperidin-1-yl]-(3-fluorophenyl)methanone
CID 141269924
1-methyl-4-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 110234485
2-morpholin-4-yl-1-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)piperidin-1-yl]propan-1-one
CID 110234494
(3-fluorophenyl)-(3-phenylazepan-1-yl)methanone
CID 90608444
(1-methylpyrazol-4-yl)-[4-(1H-pyrrolo[2,3-b]pyridin-2-yl)piperidin-1-yl]methanone
CID 95811532
2-[2-[(3R)-1-(3-fluorobenzoyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-N-methylacetamide
CID 124967312
2-[2-[1-(3-fluorobenzoyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-N-methylacetamide
CID 110083301
N-[5-[(3S)-1-(3-fluorobenzoyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide
CID 97343244

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (3-fluorophenyl)-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)piperidin-1-yl]methanone (CID 110234470) is (3-fluorophenyl)-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-fluorophenyl)-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (3-fluorophenyl)-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)piperidin-1-yl]methanone is O=C(c1cccc(F)c1)N1CCCC(c2cc3cccnc3[nH]2)C1.
What is the InChIKey of (3-fluorophenyl)-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)piperidin-1-yl]methanone?
The InChIKey is ZRHLOPRSZPZVMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O/c20-16-7-1-4-14(10-16)19(24)23-9-3-6-15(12-23)17-11-13-5-2-8-21-18(13)22-17/h1-2,4-5,7-8,10-11,15H,3,6,9,12H2,(H,21,22).
What are the key properties of (3-fluorophenyl)-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)piperidin-1-yl]methanone?
(3-fluorophenyl)-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)piperidin-1-yl]methanone has a molecular weight of 323.37 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 110234470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).