2-amino-4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile

C18H14FN5O — CID 56876489

IUPAC2-amino-4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile
SMILESN#Cc1c(N)nc2c(c1-c1cn[nH]c1-c1ccc(F)cc1)COCC2
InChIInChI=1S/C18H14FN5O/c19-11-3-1-10(2-4-11)17-13(8-22-24-17)16-12(7-20)18(21)23-15-5-6-25-9-14(15)16/h1-4,8H,5-6,9H2,(H2,21,23)(H,22,24)
InChIKeyAGXWJLRMTMSTMC-UHFFFAOYSA-N
MW335.34 g/mol
LogP2.80
Rot. Bonds2

About 2-amino-4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile

2-amino-4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile (PubChem CID 56876489) has the molecular formula C18H14FN5O and a molecular weight of 335.34 g/mol. Its IUPAC name is 2-amino-4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile
PubChem CID56876489
Molecular FormulaC18H14FN5O
Molecular Weight335.34 g/mol
Exact Mass335.12
IUPAC Name2-amino-4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile
SMILESN#Cc1c(N)nc2c(c1-c1cn[nH]c1-c1ccc(F)cc1)COCC2
InChIInChI=1S/C18H14FN5O/c19-11-3-1-10(2-4-11)17-13(8-22-24-17)16-12(7-20)18(21)23-15-5-6-25-9-14(15)16/h1-4,8H,5-6,9H2,(H2,21,23)(H,22,24)
InChIKeyAGXWJLRMTMSTMC-UHFFFAOYSA-N
XLogP2.80
TPSA100.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.34
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(6S)-2,6-diamino-4-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 95502462
2-amino-4-(5-ethyl-1H-pyrazol-3-yl)-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile
CID 56869661
(6S)-2-amino-4-(4-fluorophenyl)-6-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 728885
2-amino-4-(1-benzofuran-2-yl)-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile
CID 56864350
2-amino-4-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile
CID 56864257
2-amino-4-(5-cyclohexyl-1H-pyrazol-4-yl)-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile
CID 56900902
2-amino-4-(2,4-difluorophenyl)-6,7-dihydro-5H-pyrazolo[5,4-h]quinoline-3-carbonitrile;bis(2,2,2-trifluoroacetic acid)
CID 87964448
2-amino-4-(3-fluorophenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 4528748
2-amino-4-(4-fluorophenyl)-5,6-dimethylpyridine-3-carbonitrile
CID 932580
2-amino-4-(5-bromo-2-fluorophenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 4635818
4-(4-amino-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)phenol
CID 136982295
2-amino-4-(4-methylsulfanylphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 4636172

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile (CID 56876489) is 2-amino-4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile is N#Cc1c(N)nc2c(c1-c1cn[nH]c1-c1ccc(F)cc1)COCC2.
What is the InChIKey of 2-amino-4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile?
The InChIKey is AGXWJLRMTMSTMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN5O/c19-11-3-1-10(2-4-11)17-13(8-22-24-17)16-12(7-20)18(21)23-15-5-6-25-9-14(15)16/h1-4,8H,5-6,9H2,(H2,21,23)(H,22,24).
What are the key properties of 2-amino-4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile?
2-amino-4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile has a molecular weight of 335.34 g/mol, XLogP of 2.80, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile is sourced from PubChem (CID 56876489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).