2-(2,5-dihydropyridin-4-yl)-4-(5-fluoro-2-methoxyphenyl)pyrrolo[2,3-b]pyridine-1-carbonitrile

C20H15FN4O — CID 90420725

IUPAC2-(2,5-dihydropyridin-4-yl)-4-(5-fluoro-2-methoxyphenyl)pyrrolo[2,3-b]pyridine-1-carbonitrile
SMILESCOc1ccc(F)cc1-c1ccnc2c1cc(C1=CCN=CC1)n2C#N
InChIInChI=1S/C20H15FN4O/c1-26-19-3-2-14(21)10-16(19)15-6-9-24-20-17(15)11-18(25(20)12-22)13-4-7-23-8-5-13/h2-4,6,8-11H,5,7H2,1H3
InChIKeyLNWXBWPHGXHBDZ-UHFFFAOYSA-N
MW346.37 g/mol
LogP4.04
Rot. Bonds3

About 2-(2,5-dihydropyridin-4-yl)-4-(5-fluoro-2-methoxyphenyl)pyrrolo[2,3-b]pyridine-1-carbonitrile

2-(2,5-dihydropyridin-4-yl)-4-(5-fluoro-2-methoxyphenyl)pyrrolo[2,3-b]pyridine-1-carbonitrile (PubChem CID 90420725) has the molecular formula C20H15FN4O and a molecular weight of 346.37 g/mol. Its IUPAC name is 2-(2,5-dihydropyridin-4-yl)-4-(5-fluoro-2-methoxyphenyl)pyrrolo[2,3-b]pyridine-1-carbonitrile.

Molecular Properties

Compound Name2-(2,5-dihydropyridin-4-yl)-4-(5-fluoro-2-methoxyphenyl)pyrrolo[2,3-b]pyridine-1-carbonitrile
PubChem CID90420725
Molecular FormulaC20H15FN4O
Molecular Weight346.37 g/mol
Exact Mass346.12
IUPAC Name2-(2,5-dihydropyridin-4-yl)-4-(5-fluoro-2-methoxyphenyl)pyrrolo[2,3-b]pyridine-1-carbonitrile
SMILESCOc1ccc(F)cc1-c1ccnc2c1cc(C1=CCN=CC1)n2C#N
InChIInChI=1S/C20H15FN4O/c1-26-19-3-2-14(21)10-16(19)15-6-9-24-20-17(15)11-18(25(20)12-22)13-4-7-23-8-5-13/h2-4,6,8-11H,5,7H2,1H3
InChIKeyLNWXBWPHGXHBDZ-UHFFFAOYSA-N
XLogP4.04
TPSA63.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.37
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-Methyl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
CID 146659124
(3R,4S)-1-[6-(6-methoxypyridin-3-yl)pyrimidin-4-yl]-4-(2,4,5-trifluorophenyl)pyrrolidin-3-amine
CID 24180585
2-(4-Methoxyphenyl)imidazo[1,2-a]pyridine
CID 694963
2-(4-Ethoxyphenyl)imidazo[1,2-a]pyridine
CID 720519
2-(4-Propoxyphenyl)imidazo[1,2-a]pyridine
CID 2876085
3-(6-Methoxypyridin-2-yl)-7-phenylimidazo[1,2-a]pyridine
CID 5329342
Rwj-68354
CID 9819053
N2-(2-(1H-Pyrrolo[2,3-b]pyridin-3-yl)ethyl)-N4-butyl-N6-(2-methoxyphenethyl)-N4-methyl-1,3,5-triazine-2,4,6-triamine
CID 24767906
trans-4-[4-[4-(5-Fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-1(2H)-pyridinyl]cyclohexaneacetic acid
CID 90411536
3-(3-methoxybenzyl)-1H-pyrrolo(2,3-b)pyridine
CID 24180722
6-Amino-2-(4-fluorophenyl)-4-benzyloxy-3-(4-pyridyl)-1h-pyrrolo[2,3-b]pyridine
CID 10386848
7-Isopropyl-5-(4-phenoxy-phenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-ylamine
CID 19597433

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dihydropyridin-4-yl)-4-(5-fluoro-2-methoxyphenyl)pyrrolo[2,3-b]pyridine-1-carbonitrile?
The IUPAC name of 2-(2,5-dihydropyridin-4-yl)-4-(5-fluoro-2-methoxyphenyl)pyrrolo[2,3-b]pyridine-1-carbonitrile (CID 90420725) is 2-(2,5-dihydropyridin-4-yl)-4-(5-fluoro-2-methoxyphenyl)pyrrolo[2,3-b]pyridine-1-carbonitrile.
What is the SMILES notation for 2-(2,5-dihydropyridin-4-yl)-4-(5-fluoro-2-methoxyphenyl)pyrrolo[2,3-b]pyridine-1-carbonitrile?
The canonical SMILES for 2-(2,5-dihydropyridin-4-yl)-4-(5-fluoro-2-methoxyphenyl)pyrrolo[2,3-b]pyridine-1-carbonitrile is COc1ccc(F)cc1-c1ccnc2c1cc(C1=CCN=CC1)n2C#N.
What is the InChIKey of 2-(2,5-dihydropyridin-4-yl)-4-(5-fluoro-2-methoxyphenyl)pyrrolo[2,3-b]pyridine-1-carbonitrile?
The InChIKey is LNWXBWPHGXHBDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4O/c1-26-19-3-2-14(21)10-16(19)15-6-9-24-20-17(15)11-18(25(20)12-22)13-4-7-23-8-5-13/h2-4,6,8-11H,5,7H2,1H3.
What are the key properties of 2-(2,5-dihydropyridin-4-yl)-4-(5-fluoro-2-methoxyphenyl)pyrrolo[2,3-b]pyridine-1-carbonitrile?
2-(2,5-dihydropyridin-4-yl)-4-(5-fluoro-2-methoxyphenyl)pyrrolo[2,3-b]pyridine-1-carbonitrile has a molecular weight of 346.37 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dihydropyridin-4-yl)-4-(5-fluoro-2-methoxyphenyl)pyrrolo[2,3-b]pyridine-1-carbonitrile is sourced from PubChem (CID 90420725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).