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

C23H22FN7O — CID 178131355

IUPAC4-[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
SMILESCc1c(-c2cc(CCC(O)c3ccc(F)cn3)c3c(C#N)cnn3c2)nn2c1CNCC2
InChIInChI=1S/C23H22FN7O/c1-14-20-12-26-6-7-30(20)29-22(14)16-8-15(23-17(9-25)10-28-31(23)13-16)2-5-21(32)19-4-3-18(24)11-27-19/h3-4,8,10-11,13,21,26,32H,2,5-7,12H2,1H3
InChIKeyWTIFGHMIEVJBPH-UHFFFAOYSA-N
MW431.48 g/mol
LogP2.68
Rot. Bonds5

About 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

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 (PubChem CID 178131355) has the molecular formula C23H22FN7O and a molecular weight of 431.48 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[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
PubChem CID178131355
Molecular FormulaC23H22FN7O
Molecular Weight431.48 g/mol
Exact Mass431.19
IUPAC Name4-[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
SMILESCc1c(-c2cc(CCC(O)c3ccc(F)cn3)c3c(C#N)cnn3c2)nn2c1CNCC2
InChIInChI=1S/C23H22FN7O/c1-14-20-12-26-6-7-30(20)29-22(14)16-8-15(23-17(9-25)10-28-31(23)13-16)2-5-21(32)19-4-3-18(24)11-27-19/h3-4,8,10-11,13,21,26,32H,2,5-7,12H2,1H3
InChIKeyWTIFGHMIEVJBPH-UHFFFAOYSA-N
XLogP2.68
TPSA104.06 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.48
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

5-[1-(5-fluoro-2-pyridinyl)ethoxy]-7-(3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazo[1,2-a]pyridine-3-carbonitrile
CID 171830503
4-[(2S)-2-(5-fluoro-2-pyridinyl)-2-hydroxyethoxy]-6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 169267331
4-[(2R)-2-(5-fluoro-2-pyridinyl)-2-hydroxyethoxy]-6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 169267476
[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
6-(5-amino-2H-triazol-4-yl)-4-[(1R)-1-(5-fluoro-2-pyridinyl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 176816248
[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
4-[1-(5-fluoro-2-pyridinyl)-2-methoxyethoxy]-6-(5-methyl-1-piperidin-4-yltriazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrochloride
CID 174160392
2-[[3-chloro-6-methyl-6-(3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)-7H-pyrazolo[1,5-a]pyridin-4-yl]oxy]-1-(5-fluoro-2-pyridinyl)ethanol
CID 178131200
[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-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-6-bicyclo[3.1.0]hexanyl]cyanamide
CID 178131219
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
[5-[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]-2-bicyclo[2.2.1]heptanyl]cyanamide
CID 178131338

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1c(-c2cc(CCC(O)c3ccc(F)cn3)c3c(C#N)cnn3c2)nn2c1CNCC2.
What is the InChIKey of 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?
The InChIKey is WTIFGHMIEVJBPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN7O/c1-14-20-12-26-6-7-30(20)29-22(14)16-8-15(23-17(9-25)10-28-31(23)13-16)2-5-21(32)19-4-3-18(24)11-27-19/h3-4,8,10-11,13,21,26,32H,2,5-7,12H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 431.48 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 178131355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).