1-[2-[3-chloro-4-[2-(5-fluoro-2-pyridinyl)ethoxy]pyrazolo[1,5-a]pyridin-6-yl]-3-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethenylcyanamide

C24H22ClFN8O — CID 178131291

IUPAC1-[2-[3-chloro-4-[2-(5-fluoro-2-pyridinyl)ethoxy]pyrazolo[1,5-a]pyridin-6-yl]-3-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethenylcyanamide
SMILESC=C(NC#N)N1CCn2nc(-c3cc(OCCc4ccc(F)cn4)c4c(Cl)cnn4c3)c(C)c2C1
InChIInChI=1S/C24H22ClFN8O/c1-15-21-13-32(16(2)29-14-27)6-7-33(21)31-23(15)17-9-22(24-20(25)11-30-34(24)12-17)35-8-5-19-4-3-18(26)10-28-19/h3-4,9-12,29H,2,5-8,13H2,1H3
InChIKeyABLFPGCNTKTNNI-UHFFFAOYSA-N
MW492.95 g/mol
LogP3.67
Rot. Bonds7

About 1-[2-[3-chloro-4-[2-(5-fluoro-2-pyridinyl)ethoxy]pyrazolo[1,5-a]pyridin-6-yl]-3-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethenylcyanamide

1-[2-[3-chloro-4-[2-(5-fluoro-2-pyridinyl)ethoxy]pyrazolo[1,5-a]pyridin-6-yl]-3-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethenylcyanamide (PubChem CID 178131291) has the molecular formula C24H22ClFN8O and a molecular weight of 492.95 g/mol. Its IUPAC name is 1-[2-[3-chloro-4-[2-(5-fluoro-2-pyridinyl)ethoxy]pyrazolo[1,5-a]pyridin-6-yl]-3-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethenylcyanamide.

Molecular Properties

Compound Name1-[2-[3-chloro-4-[2-(5-fluoro-2-pyridinyl)ethoxy]pyrazolo[1,5-a]pyridin-6-yl]-3-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethenylcyanamide
PubChem CID178131291
Molecular FormulaC24H22ClFN8O
Molecular Weight492.95 g/mol
Exact Mass492.16
IUPAC Name1-[2-[3-chloro-4-[2-(5-fluoro-2-pyridinyl)ethoxy]pyrazolo[1,5-a]pyridin-6-yl]-3-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethenylcyanamide
SMILESC=C(NC#N)N1CCn2nc(-c3cc(OCCc4ccc(F)cn4)c4c(Cl)cnn4c3)c(C)c2C1
InChIInChI=1S/C24H22ClFN8O/c1-15-21-13-32(16(2)29-14-27)6-7-33(21)31-23(15)17-9-22(24-20(25)11-30-34(24)12-17)35-8-5-19-4-3-18(26)10-28-19/h3-4,9-12,29H,2,5-8,13H2,1H3
InChIKeyABLFPGCNTKTNNI-UHFFFAOYSA-N
XLogP3.67
TPSA96.30 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.95
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

1-[2-[3-chloro-4-[[2-(5-fluoro-2-pyridinyl)oxetan-2-yl]methoxy]pyrazolo[1,5-a]pyridin-6-yl]-3-methyl-4,5,7,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-6-yl]prop-2-en-1-one
CID 178130411
2-[3-chloro-4-[1-(7-fluoroisoquinolin-4-yl)ethoxy]pyrazolo[1,5-a]pyridin-6-yl]-3-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonitrile
CID 178130597
[3-[2-[4-[1-(5-fluoro-2-pyridinyl)-2-hydroxyethoxy]-3-methoxypyrazolo[1,5-a]pyridin-6-yl]-3-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-6-bicyclo[3.1.0]hexanyl]cyanamide
CID 178131219
1-[3-chloro-6-[1,4-dimethyl-5-(methylaminomethyl)pyrazol-3-yl]pyrazolo[1,5-a]pyridin-4-yl]oxy-2-(5-fluoro-2-pyridinyl)butan-2-ol
CID 178131239
2-[3-chloro-4-[2-hydroxy-2-(1-methyl-5-oxopyrrolidin-3-yl)ethoxy]pyrazolo[1,5-a]pyridin-6-yl]-3-methyl-4,5,7,8-tetrahydropyrazolo[1,5-d][1,4]diazepine-6-carbonitrile
CID 178130423
[4-[2-[3-(difluoromethoxy)-4-[1-(5-fluoro-2-pyridinyl)-2-hydroxyethoxy]pyrazolo[1,5-a]pyridin-6-yl]-3-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]cyclohexyl]cyanamide
CID 178131269
[(1R,2S,4R,5S)-5-[2-[4-[(1S)-1-(5-fluoro-2-pyridinyl)-2-hydroxyethoxy]-3-methoxypyrazolo[1,5-a]pyridin-6-yl]-3-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-bicyclo[2.2.1]heptanyl]methylcyanamide
CID 178131393
2-[3-chloro-4-[1-(1-methylpyrazol-4-yl)ethoxy]pyrazolo[1,5-a]pyridin-6-yl]-3-methyl-4,5,7,8-tetrahydropyrazolo[1,5-d][1,4]diazepine-6-carbonitrile
CID 178130553
[4-[2-[3-(difluoromethoxy)-4-[1-(5-fluoro-2-pyridinyl)-2-hydroxyethoxy]pyrazolo[1,5-a]pyridin-6-yl]-3-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3,3-difluorocyclohexyl]cyanamide
CID 178131262
[3-[2-[4-[1-(5-fluoro-2-pyridinyl)-2-hydroxyethoxy]-3-methoxypyrazolo[1,5-a]pyridin-6-yl]-3-methyl-4,5,7,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-6-yl]cyclobutyl]cyanamide
CID 178131245
tert-butyl 2-[4-[1-(5-fluoro-2-pyridinyl)ethoxy]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridin-6-yl]-3-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 178130551
4-[3-(5-fluoro-2-pyridinyl)-3-hydroxypropyl]-6-(3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 178131355

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-chloro-4-[2-(5-fluoro-2-pyridinyl)ethoxy]pyrazolo[1,5-a]pyridin-6-yl]-3-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethenylcyanamide?
The IUPAC name of 1-[2-[3-chloro-4-[2-(5-fluoro-2-pyridinyl)ethoxy]pyrazolo[1,5-a]pyridin-6-yl]-3-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethenylcyanamide (CID 178131291) is 1-[2-[3-chloro-4-[2-(5-fluoro-2-pyridinyl)ethoxy]pyrazolo[1,5-a]pyridin-6-yl]-3-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethenylcyanamide.
What is the SMILES notation for 1-[2-[3-chloro-4-[2-(5-fluoro-2-pyridinyl)ethoxy]pyrazolo[1,5-a]pyridin-6-yl]-3-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethenylcyanamide?
The canonical SMILES for 1-[2-[3-chloro-4-[2-(5-fluoro-2-pyridinyl)ethoxy]pyrazolo[1,5-a]pyridin-6-yl]-3-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethenylcyanamide is C=C(NC#N)N1CCn2nc(-c3cc(OCCc4ccc(F)cn4)c4c(Cl)cnn4c3)c(C)c2C1.
What is the InChIKey of 1-[2-[3-chloro-4-[2-(5-fluoro-2-pyridinyl)ethoxy]pyrazolo[1,5-a]pyridin-6-yl]-3-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethenylcyanamide?
The InChIKey is ABLFPGCNTKTNNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClFN8O/c1-15-21-13-32(16(2)29-14-27)6-7-33(21)31-23(15)17-9-22(24-20(25)11-30-34(24)12-17)35-8-5-19-4-3-18(26)10-28-19/h3-4,9-12,29H,2,5-8,13H2,1H3.
What are the key properties of 1-[2-[3-chloro-4-[2-(5-fluoro-2-pyridinyl)ethoxy]pyrazolo[1,5-a]pyridin-6-yl]-3-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethenylcyanamide?
1-[2-[3-chloro-4-[2-(5-fluoro-2-pyridinyl)ethoxy]pyrazolo[1,5-a]pyridin-6-yl]-3-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethenylcyanamide has a molecular weight of 492.95 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-chloro-4-[2-(5-fluoro-2-pyridinyl)ethoxy]pyrazolo[1,5-a]pyridin-6-yl]-3-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethenylcyanamide is sourced from PubChem (CID 178131291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).