4-(1-fluorocyclopentyl)-2-methoxy-3-(2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl)benzonitrile

C26H25FN4O2 — CID 118479393

IUPAC4-(1-fluorocyclopentyl)-2-methoxy-3-(2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl)benzonitrile
SMILESCOc1c(C#N)ccc(C2(F)CCCC2)c1C(=O)N1CCc2nn(-c3ccccc3)cc2C1
InChIInChI=1S/C26H25FN4O2/c1-33-24-18(15-28)9-10-21(26(27)12-5-6-13-26)23(24)25(32)30-14-11-22-19(16-30)17-31(29-22)20-7-3-2-4-8-20/h2-4,7-10,17H,5-6,11-14,16H2,1H3
InChIKeyRPDPSSJVZXDITM-UHFFFAOYSA-N
MW444.51 g/mol
LogP4.69
Rot. Bonds4

About 4-(1-fluorocyclopentyl)-2-methoxy-3-(2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl)benzonitrile

4-(1-fluorocyclopentyl)-2-methoxy-3-(2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl)benzonitrile (PubChem CID 118479393) has the molecular formula C26H25FN4O2 and a molecular weight of 444.51 g/mol. Its IUPAC name is 4-(1-fluorocyclopentyl)-2-methoxy-3-(2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl)benzonitrile.

Molecular Properties

Compound Name4-(1-fluorocyclopentyl)-2-methoxy-3-(2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl)benzonitrile
PubChem CID118479393
Molecular FormulaC26H25FN4O2
Molecular Weight444.51 g/mol
Exact Mass444.20
IUPAC Name4-(1-fluorocyclopentyl)-2-methoxy-3-(2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl)benzonitrile
SMILESCOc1c(C#N)ccc(C2(F)CCCC2)c1C(=O)N1CCc2nn(-c3ccccc3)cc2C1
InChIInChI=1S/C26H25FN4O2/c1-33-24-18(15-28)9-10-21(26(27)12-5-6-13-26)23(24)25(32)30-14-11-22-19(16-30)17-31(29-22)20-7-3-2-4-8-20/h2-4,7-10,17H,5-6,11-14,16H2,1H3
InChIKeyRPDPSSJVZXDITM-UHFFFAOYSA-N
XLogP4.69
TPSA71.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.51
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1-fluorocyclopentyl)-2-methoxy-3-(2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl)benzonitrile?
The IUPAC name of 4-(1-fluorocyclopentyl)-2-methoxy-3-(2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl)benzonitrile (CID 118479393) is 4-(1-fluorocyclopentyl)-2-methoxy-3-(2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl)benzonitrile.
What is the SMILES notation for 4-(1-fluorocyclopentyl)-2-methoxy-3-(2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl)benzonitrile?
The canonical SMILES for 4-(1-fluorocyclopentyl)-2-methoxy-3-(2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl)benzonitrile is COc1c(C#N)ccc(C2(F)CCCC2)c1C(=O)N1CCc2nn(-c3ccccc3)cc2C1.
What is the InChIKey of 4-(1-fluorocyclopentyl)-2-methoxy-3-(2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl)benzonitrile?
The InChIKey is RPDPSSJVZXDITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN4O2/c1-33-24-18(15-28)9-10-21(26(27)12-5-6-13-26)23(24)25(32)30-14-11-22-19(16-30)17-31(29-22)20-7-3-2-4-8-20/h2-4,7-10,17H,5-6,11-14,16H2,1H3.
What are the key properties of 4-(1-fluorocyclopentyl)-2-methoxy-3-(2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl)benzonitrile?
4-(1-fluorocyclopentyl)-2-methoxy-3-(2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl)benzonitrile has a molecular weight of 444.51 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-fluorocyclopentyl)-2-methoxy-3-(2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl)benzonitrile is sourced from PubChem (CID 118479393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).