N-[6-(2-chlorophenyl)-4-methyl-2-pyridinyl]-3-fluoro-7H-pyrrolo[3,4-b]pyridin-5-amine

C19H14ClFN4 — CID 58119921

IUPACN-[6-(2-chlorophenyl)-4-methyl-2-pyridinyl]-3-fluoro-7H-pyrrolo[3,4-b]pyridin-5-amine
SMILESCc1cc(NC2=NCc3ncc(F)cc32)nc(-c2ccccc2Cl)c1
InChIInChI=1S/C19H14ClFN4/c1-11-6-16(13-4-2-3-5-15(13)20)24-18(7-11)25-19-14-8-12(21)9-22-17(14)10-23-19/h2-9H,10H2,1H3,(H,23,24,25)
InChIKeyZUVDQGJCHZOFAO-UHFFFAOYSA-N
MW352.80 g/mol
LogP4.62
Rot. Bonds2

About N-[6-(2-chlorophenyl)-4-methyl-2-pyridinyl]-3-fluoro-7H-pyrrolo[3,4-b]pyridin-5-amine

N-[6-(2-chlorophenyl)-4-methyl-2-pyridinyl]-3-fluoro-7H-pyrrolo[3,4-b]pyridin-5-amine (PubChem CID 58119921) has the molecular formula C19H14ClFN4 and a molecular weight of 352.80 g/mol. Its IUPAC name is N-[6-(2-chlorophenyl)-4-methyl-2-pyridinyl]-3-fluoro-7H-pyrrolo[3,4-b]pyridin-5-amine.

Molecular Properties

Compound NameN-[6-(2-chlorophenyl)-4-methyl-2-pyridinyl]-3-fluoro-7H-pyrrolo[3,4-b]pyridin-5-amine
PubChem CID58119921
Molecular FormulaC19H14ClFN4
Molecular Weight352.80 g/mol
Exact Mass352.09
IUPAC NameN-[6-(2-chlorophenyl)-4-methyl-2-pyridinyl]-3-fluoro-7H-pyrrolo[3,4-b]pyridin-5-amine
SMILESCc1cc(NC2=NCc3ncc(F)cc32)nc(-c2ccccc2Cl)c1
InChIInChI=1S/C19H14ClFN4/c1-11-6-16(13-4-2-3-5-15(13)20)24-18(7-11)25-19-14-8-12(21)9-22-17(14)10-23-19/h2-9H,10H2,1H3,(H,23,24,25)
InChIKeyZUVDQGJCHZOFAO-UHFFFAOYSA-N
XLogP4.62
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.80
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(2-chlorophenyl)-4-methyl-2-pyridinyl]-5-methyl-1,3-thiazol-2-amine
CID 25011967
2-chloro-4-(2-chlorophenyl)-6-methylpyrimidine
CID 79073157
3-(2-chlorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)isoquinolin-1-amine;vanadium
CID 159527409
4-chloro-2-(2-chlorophenyl)-6-methylpyridine
CID 130356557
2-(2-chlorophenyl)-6-methylpyrazine
CID 126638866
6-(2-chloro-5-fluorophenyl)-N-ethylpyrazin-2-amine
CID 105396176
2-(2-chlorophenyl)-N-(4-ethyl-7-fluoro-2-methyl-3,4-dihydronaphthalen-1-yl)-5,6,7,8-tetrahydroquinolin-4-amine
CID 142126512
8-bromo-6-(2-chlorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine
CID 70880326
3-(2,3-dichlorophenyl)-2,5-difluoropyridine
CID 133090714
6-(2-chlorophenyl)-8-fluoro-4H-imidazo[1,2-a][1,4]benzodiazepine
CID 21487182
2-(2-chlorophenyl)-6-fluoroquinoline-4-carboxylic acid
CID 3357522
3-(2-chlorophenyl)-5-methyl-1,2-oxazole;ethane
CID 143409135

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-chlorophenyl)-4-methyl-2-pyridinyl]-3-fluoro-7H-pyrrolo[3,4-b]pyridin-5-amine?
The IUPAC name of N-[6-(2-chlorophenyl)-4-methyl-2-pyridinyl]-3-fluoro-7H-pyrrolo[3,4-b]pyridin-5-amine (CID 58119921) is N-[6-(2-chlorophenyl)-4-methyl-2-pyridinyl]-3-fluoro-7H-pyrrolo[3,4-b]pyridin-5-amine.
What is the SMILES notation for N-[6-(2-chlorophenyl)-4-methyl-2-pyridinyl]-3-fluoro-7H-pyrrolo[3,4-b]pyridin-5-amine?
The canonical SMILES for N-[6-(2-chlorophenyl)-4-methyl-2-pyridinyl]-3-fluoro-7H-pyrrolo[3,4-b]pyridin-5-amine is Cc1cc(NC2=NCc3ncc(F)cc32)nc(-c2ccccc2Cl)c1.
What is the InChIKey of N-[6-(2-chlorophenyl)-4-methyl-2-pyridinyl]-3-fluoro-7H-pyrrolo[3,4-b]pyridin-5-amine?
The InChIKey is ZUVDQGJCHZOFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClFN4/c1-11-6-16(13-4-2-3-5-15(13)20)24-18(7-11)25-19-14-8-12(21)9-22-17(14)10-23-19/h2-9H,10H2,1H3,(H,23,24,25).
What are the key properties of N-[6-(2-chlorophenyl)-4-methyl-2-pyridinyl]-3-fluoro-7H-pyrrolo[3,4-b]pyridin-5-amine?
N-[6-(2-chlorophenyl)-4-methyl-2-pyridinyl]-3-fluoro-7H-pyrrolo[3,4-b]pyridin-5-amine has a molecular weight of 352.80 g/mol, XLogP of 4.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-chlorophenyl)-4-methyl-2-pyridinyl]-3-fluoro-7H-pyrrolo[3,4-b]pyridin-5-amine is sourced from PubChem (CID 58119921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).