6-[1-(4-aminocyclohexyl)-5-methylpyrazol-4-yl]-4-(2-cyano-4-fluorophenyl)sulfanylpyrazolo[1,5-a]pyridine-3-carbonitrile

C25H22FN7S — CID 171847275

IUPAC6-[1-(4-aminocyclohexyl)-5-methylpyrazol-4-yl]-4-(2-cyano-4-fluorophenyl)sulfanylpyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCc1c(-c2cc(Sc3ccc(F)cc3C#N)c3c(C#N)cnn3c2)cnn1C1CCC(N)CC1
InChIInChI=1S/C25H22FN7S/c1-15-22(13-31-33(15)21-5-3-20(29)4-6-21)17-9-24(25-18(11-28)12-30-32(25)14-17)34-23-7-2-19(26)8-16(23)10-27/h2,7-9,12-14,20-21H,3-6,29H2,1H3
InChIKeyNWPXSYVSLWRQLD-UHFFFAOYSA-N
MW471.57 g/mol
LogP4.98
Rot. Bonds4

About 6-[1-(4-aminocyclohexyl)-5-methylpyrazol-4-yl]-4-(2-cyano-4-fluorophenyl)sulfanylpyrazolo[1,5-a]pyridine-3-carbonitrile

6-[1-(4-aminocyclohexyl)-5-methylpyrazol-4-yl]-4-(2-cyano-4-fluorophenyl)sulfanylpyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 171847275) has the molecular formula C25H22FN7S and a molecular weight of 471.57 g/mol. Its IUPAC name is 6-[1-(4-aminocyclohexyl)-5-methylpyrazol-4-yl]-4-(2-cyano-4-fluorophenyl)sulfanylpyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[1-(4-aminocyclohexyl)-5-methylpyrazol-4-yl]-4-(2-cyano-4-fluorophenyl)sulfanylpyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID171847275
Molecular FormulaC25H22FN7S
Molecular Weight471.57 g/mol
Exact Mass471.16
IUPAC Name6-[1-(4-aminocyclohexyl)-5-methylpyrazol-4-yl]-4-(2-cyano-4-fluorophenyl)sulfanylpyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCc1c(-c2cc(Sc3ccc(F)cc3C#N)c3c(C#N)cnn3c2)cnn1C1CCC(N)CC1
InChIInChI=1S/C25H22FN7S/c1-15-22(13-31-33(15)21-5-3-20(29)4-6-21)17-9-24(25-18(11-28)12-30-32(25)14-17)34-23-7-2-19(26)8-16(23)10-27/h2,7-9,12-14,20-21H,3-6,29H2,1H3
InChIKeyNWPXSYVSLWRQLD-UHFFFAOYSA-N
XLogP4.98
TPSA108.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.57
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(4-aminocyclohexyl)-5-methylpyrazol-4-yl]-4-(2-cyano-4-fluorophenyl)sulfanylpyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 6-[1-(4-aminocyclohexyl)-5-methylpyrazol-4-yl]-4-(2-cyano-4-fluorophenyl)sulfanylpyrazolo[1,5-a]pyridine-3-carbonitrile (CID 171847275) is 6-[1-(4-aminocyclohexyl)-5-methylpyrazol-4-yl]-4-(2-cyano-4-fluorophenyl)sulfanylpyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[1-(4-aminocyclohexyl)-5-methylpyrazol-4-yl]-4-(2-cyano-4-fluorophenyl)sulfanylpyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 6-[1-(4-aminocyclohexyl)-5-methylpyrazol-4-yl]-4-(2-cyano-4-fluorophenyl)sulfanylpyrazolo[1,5-a]pyridine-3-carbonitrile is Cc1c(-c2cc(Sc3ccc(F)cc3C#N)c3c(C#N)cnn3c2)cnn1C1CCC(N)CC1.
What is the InChIKey of 6-[1-(4-aminocyclohexyl)-5-methylpyrazol-4-yl]-4-(2-cyano-4-fluorophenyl)sulfanylpyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is NWPXSYVSLWRQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN7S/c1-15-22(13-31-33(15)21-5-3-20(29)4-6-21)17-9-24(25-18(11-28)12-30-32(25)14-17)34-23-7-2-19(26)8-16(23)10-27/h2,7-9,12-14,20-21H,3-6,29H2,1H3.
What are the key properties of 6-[1-(4-aminocyclohexyl)-5-methylpyrazol-4-yl]-4-(2-cyano-4-fluorophenyl)sulfanylpyrazolo[1,5-a]pyridine-3-carbonitrile?
6-[1-(4-aminocyclohexyl)-5-methylpyrazol-4-yl]-4-(2-cyano-4-fluorophenyl)sulfanylpyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 471.57 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(4-aminocyclohexyl)-5-methylpyrazol-4-yl]-4-(2-cyano-4-fluorophenyl)sulfanylpyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 171847275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).