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

C20H20FN3O — CID 127245013

IUPAC(4-fluorophenyl)-[3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(F)cc1)N1CCCC(Cc2cnc3[nH]ccc3c2)C1
InChIInChI=1S/C20H20FN3O/c21-18-5-3-16(4-6-18)20(25)24-9-1-2-14(13-24)10-15-11-17-7-8-22-19(17)23-12-15/h3-8,11-12,14H,1-2,9-10,13H2,(H,22,23)
InChIKeyNUGFJDCPHPDHJV-UHFFFAOYSA-N
MW337.40 g/mol
LogP3.80
Rot. Bonds3

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

(4-fluorophenyl)-[3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)piperidin-1-yl]methanone (PubChem CID 127245013) has the molecular formula C20H20FN3O and a molecular weight of 337.40 g/mol. Its IUPAC name is (4-fluorophenyl)-[3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)piperidin-1-yl]methanone
PubChem CID127245013
Molecular FormulaC20H20FN3O
Molecular Weight337.40 g/mol
Exact Mass337.16
IUPAC Name(4-fluorophenyl)-[3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(F)cc1)N1CCCC(Cc2cnc3[nH]ccc3c2)C1
InChIInChI=1S/C20H20FN3O/c21-18-5-3-16(4-6-18)20(25)24-9-1-2-14(13-24)10-15-11-17-7-8-22-19(17)23-12-15/h3-8,11-12,14H,1-2,9-10,13H2,(H,22,23)
InChIKeyNUGFJDCPHPDHJV-UHFFFAOYSA-N
XLogP3.80
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-fluorophenyl)-[4-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)piperidin-1-yl]methanone
CID 124985689
pyridin-2-yl-[3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)piperidin-1-yl]methanone
CID 175652168
pyridin-3-yl-[3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)pyrrolidin-1-yl]methanone
CID 110258466
(1-methylpyrazol-3-yl)-[(3R)-3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)pyrrolidin-1-yl]methanone
CID 95827833
(3-ethylpiperidin-1-yl)-(4-fluorophenyl)methanone
CID 23552313
(4-fluorophenyl)-[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone
CID 110106358
(4-fluorophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119397460
5-[[(3R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]-1H-pyrrolo[2,3-b]pyridine
CID 124964578
(2-methylpyrimidin-5-yl)-[(3R)-3-(quinolin-3-ylmethyl)piperidin-1-yl]methanone
CID 124961648
[3-(2-aminoethyl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 63766318
(4-fluorophenyl)-(3-propylpiperidin-1-yl)methanone
CID 23552315
1-[(6S)-4-(2-phenylbenzoyl)-6-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)-1,4-diazepan-1-yl]ethanone
CID 125004091

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)piperidin-1-yl]methanone (CID 127245013) is (4-fluorophenyl)-[3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)piperidin-1-yl]methanone is O=C(c1ccc(F)cc1)N1CCCC(Cc2cnc3[nH]ccc3c2)C1.
What is the InChIKey of (4-fluorophenyl)-[3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is NUGFJDCPHPDHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O/c21-18-5-3-16(4-6-18)20(25)24-9-1-2-14(13-24)10-15-11-17-7-8-22-19(17)23-12-15/h3-8,11-12,14H,1-2,9-10,13H2,(H,22,23).
What are the key properties of (4-fluorophenyl)-[3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)piperidin-1-yl]methanone?
(4-fluorophenyl)-[3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 337.40 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 127245013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).