1-(4-fluorophenyl)-5-[4-(1-propylpyrazol-4-yl)sulfonyl-4,7-diazaspiro[2.5]octan-7-yl]pyrazolo[3,4-b]pyridine

C24H26FN7O2S — CID 166916815

IUPAC1-(4-fluorophenyl)-5-[4-(1-propylpyrazol-4-yl)sulfonyl-4,7-diazaspiro[2.5]octan-7-yl]pyrazolo[3,4-b]pyridine
SMILESCCCn1cc(S(=O)(=O)N2CCN(c3cnc4c(cnn4-c4ccc(F)cc4)c3)CC23CC3)cn1
InChIInChI=1S/C24H26FN7O2S/c1-2-9-30-16-22(15-27-30)35(33,34)31-11-10-29(17-24(31)7-8-24)21-12-18-13-28-32(23(18)26-14-21)20-5-3-19(25)4-6-20/h3-6,12-16H,2,7-11,17H2,1H3
InChIKeyPNJASYAIDDRJRL-UHFFFAOYSA-N
MW495.58 g/mol
LogP3.21
Rot. Bonds6

About 1-(4-fluorophenyl)-5-[4-(1-propylpyrazol-4-yl)sulfonyl-4,7-diazaspiro[2.5]octan-7-yl]pyrazolo[3,4-b]pyridine

1-(4-fluorophenyl)-5-[4-(1-propylpyrazol-4-yl)sulfonyl-4,7-diazaspiro[2.5]octan-7-yl]pyrazolo[3,4-b]pyridine (PubChem CID 166916815) has the molecular formula C24H26FN7O2S and a molecular weight of 495.58 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-[4-(1-propylpyrazol-4-yl)sulfonyl-4,7-diazaspiro[2.5]octan-7-yl]pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-[4-(1-propylpyrazol-4-yl)sulfonyl-4,7-diazaspiro[2.5]octan-7-yl]pyrazolo[3,4-b]pyridine
PubChem CID166916815
Molecular FormulaC24H26FN7O2S
Molecular Weight495.58 g/mol
Exact Mass495.19
IUPAC Name1-(4-fluorophenyl)-5-[4-(1-propylpyrazol-4-yl)sulfonyl-4,7-diazaspiro[2.5]octan-7-yl]pyrazolo[3,4-b]pyridine
SMILESCCCn1cc(S(=O)(=O)N2CCN(c3cnc4c(cnn4-c4ccc(F)cc4)c3)CC23CC3)cn1
InChIInChI=1S/C24H26FN7O2S/c1-2-9-30-16-22(15-27-30)35(33,34)31-11-10-29(17-24(31)7-8-24)21-12-18-13-28-32(23(18)26-14-21)20-5-3-19(25)4-6-20/h3-6,12-16H,2,7-11,17H2,1H3
InChIKeyPNJASYAIDDRJRL-UHFFFAOYSA-N
XLogP3.21
TPSA89.15 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.58
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5-[4-(1-propylpyrazol-4-yl)sulfonyl-4,7-diazaspiro[2.5]octan-7-yl]pyrazolo[3,4-b]pyridine?
The IUPAC name of 1-(4-fluorophenyl)-5-[4-(1-propylpyrazol-4-yl)sulfonyl-4,7-diazaspiro[2.5]octan-7-yl]pyrazolo[3,4-b]pyridine (CID 166916815) is 1-(4-fluorophenyl)-5-[4-(1-propylpyrazol-4-yl)sulfonyl-4,7-diazaspiro[2.5]octan-7-yl]pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 1-(4-fluorophenyl)-5-[4-(1-propylpyrazol-4-yl)sulfonyl-4,7-diazaspiro[2.5]octan-7-yl]pyrazolo[3,4-b]pyridine?
The canonical SMILES for 1-(4-fluorophenyl)-5-[4-(1-propylpyrazol-4-yl)sulfonyl-4,7-diazaspiro[2.5]octan-7-yl]pyrazolo[3,4-b]pyridine is CCCn1cc(S(=O)(=O)N2CCN(c3cnc4c(cnn4-c4ccc(F)cc4)c3)CC23CC3)cn1.
What is the InChIKey of 1-(4-fluorophenyl)-5-[4-(1-propylpyrazol-4-yl)sulfonyl-4,7-diazaspiro[2.5]octan-7-yl]pyrazolo[3,4-b]pyridine?
The InChIKey is PNJASYAIDDRJRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN7O2S/c1-2-9-30-16-22(15-27-30)35(33,34)31-11-10-29(17-24(31)7-8-24)21-12-18-13-28-32(23(18)26-14-21)20-5-3-19(25)4-6-20/h3-6,12-16H,2,7-11,17H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-5-[4-(1-propylpyrazol-4-yl)sulfonyl-4,7-diazaspiro[2.5]octan-7-yl]pyrazolo[3,4-b]pyridine?
1-(4-fluorophenyl)-5-[4-(1-propylpyrazol-4-yl)sulfonyl-4,7-diazaspiro[2.5]octan-7-yl]pyrazolo[3,4-b]pyridine has a molecular weight of 495.58 g/mol, XLogP of 3.21, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5-[4-(1-propylpyrazol-4-yl)sulfonyl-4,7-diazaspiro[2.5]octan-7-yl]pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 166916815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).