2-chloro-3-[[1-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]methyl]-4-(1,1,1-trifluoropropan-2-yloxy)benzonitrile

C22H18ClF4N5O — CID 123924360

IUPAC2-chloro-3-[[1-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]methyl]-4-(1,1,1-trifluoropropan-2-yloxy)benzonitrile
SMILESCC(Oc1ccc(C#N)c(Cl)c1CN1CCc2c(cnn2-c2ccc(F)cn2)C1)C(F)(F)F
InChIInChI=1S/C22H18ClF4N5O/c1-13(22(25,26)27)33-19-4-2-14(8-28)21(23)17(19)12-31-7-6-18-15(11-31)9-30-32(18)20-5-3-16(24)10-29-20/h2-5,9-10,13H,6-7,11-12H2,1H3
InChIKeyAXIDDRIWCCNAPK-UHFFFAOYSA-N
MW479.87 g/mol
LogP4.82
Rot. Bonds5

About 2-chloro-3-[[1-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]methyl]-4-(1,1,1-trifluoropropan-2-yloxy)benzonitrile

2-chloro-3-[[1-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]methyl]-4-(1,1,1-trifluoropropan-2-yloxy)benzonitrile (PubChem CID 123924360) has the molecular formula C22H18ClF4N5O and a molecular weight of 479.87 g/mol. Its IUPAC name is 2-chloro-3-[[1-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]methyl]-4-(1,1,1-trifluoropropan-2-yloxy)benzonitrile.

Molecular Properties

Compound Name2-chloro-3-[[1-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]methyl]-4-(1,1,1-trifluoropropan-2-yloxy)benzonitrile
PubChem CID123924360
Molecular FormulaC22H18ClF4N5O
Molecular Weight479.87 g/mol
Exact Mass479.11
IUPAC Name2-chloro-3-[[1-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]methyl]-4-(1,1,1-trifluoropropan-2-yloxy)benzonitrile
SMILESCC(Oc1ccc(C#N)c(Cl)c1CN1CCc2c(cnn2-c2ccc(F)cn2)C1)C(F)(F)F
InChIInChI=1S/C22H18ClF4N5O/c1-13(22(25,26)27)33-19-4-2-14(8-28)21(23)17(19)12-31-7-6-18-15(11-31)9-30-32(18)20-5-3-16(24)10-29-20/h2-5,9-10,13H,6-7,11-12H2,1H3
InChIKeyAXIDDRIWCCNAPK-UHFFFAOYSA-N
XLogP4.82
TPSA66.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.87
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-chloro-3-[[1-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]methyl]-4-(1,1,1-trifluoropropan-2-yloxy)benzonitrile with MolForge

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Related Compounds

2-chloro-3-[1-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl]-4-(1,1,1-trifluoropropan-2-yloxy)benzonitrile
CID 118479233
2-chloro-3-[1-(2-methyl-4-pyridinyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carbonyl]-4-(1,1,1-trifluoropropan-2-yloxy)benzonitrile
CID 123814122
2-chloro-3-[1-(4-fluorophenyl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl]-4-(1,1,1-trifluoropropan-2-yloxy)benzonitrile
CID 118479094
2-chloro-3-cyano-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxybenzoic acid
CID 118479174
2-chloro-3-[3-(3,5-difluorophenyl)azetidine-1-carbonyl]-4-(1,1,1-trifluoropropan-2-yloxy)benzonitrile
CID 121318497
3,3,3-trifluoro-1-[(7R)-1-(5-fluoro-2-pyridinyl)-7-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-2-hydroxypropan-1-one
CID 126571575
3-(1-benzyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carbonyl)-4-(1,1,1-trifluoropropan-2-yloxy)benzonitrile
CID 123793864
6-[(2,6-difluorophenyl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928924
6-[(2,6-difluoro-4-methoxyphenyl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928903
2-[4-[[2,6-dichloro-3-[4-(5-fluoro-2-pyridinyl)piperazine-1-carbonyl]phenyl]methyl]piperazin-1-yl]benzonitrile;ethane
CID 142349195
3-[2-(2-fluorophenyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carbonyl]-2-methoxy-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxybenzonitrile
CID 118479122
6-[(2-chloro-6-fluoro-3-methylphenyl)methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24929216

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-[[1-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]methyl]-4-(1,1,1-trifluoropropan-2-yloxy)benzonitrile?
The IUPAC name of 2-chloro-3-[[1-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]methyl]-4-(1,1,1-trifluoropropan-2-yloxy)benzonitrile (CID 123924360) is 2-chloro-3-[[1-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]methyl]-4-(1,1,1-trifluoropropan-2-yloxy)benzonitrile.
What is the SMILES notation for 2-chloro-3-[[1-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]methyl]-4-(1,1,1-trifluoropropan-2-yloxy)benzonitrile?
The canonical SMILES for 2-chloro-3-[[1-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]methyl]-4-(1,1,1-trifluoropropan-2-yloxy)benzonitrile is CC(Oc1ccc(C#N)c(Cl)c1CN1CCc2c(cnn2-c2ccc(F)cn2)C1)C(F)(F)F.
What is the InChIKey of 2-chloro-3-[[1-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]methyl]-4-(1,1,1-trifluoropropan-2-yloxy)benzonitrile?
The InChIKey is AXIDDRIWCCNAPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClF4N5O/c1-13(22(25,26)27)33-19-4-2-14(8-28)21(23)17(19)12-31-7-6-18-15(11-31)9-30-32(18)20-5-3-16(24)10-29-20/h2-5,9-10,13H,6-7,11-12H2,1H3.
What are the key properties of 2-chloro-3-[[1-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]methyl]-4-(1,1,1-trifluoropropan-2-yloxy)benzonitrile?
2-chloro-3-[[1-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]methyl]-4-(1,1,1-trifluoropropan-2-yloxy)benzonitrile has a molecular weight of 479.87 g/mol, XLogP of 4.82, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-[[1-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]methyl]-4-(1,1,1-trifluoropropan-2-yloxy)benzonitrile is sourced from PubChem (CID 123924360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).