2-[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]-1-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone

C19H17F3N4O2 — CID 175720717

IUPAC2-[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]-1-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone
SMILESO=C(Cn1ncc2ncc(-c3ccc(F)c(C(F)F)c3)cc21)N1CC[C@@H](O)C1
InChIInChI=1S/C19H17F3N4O2/c20-15-2-1-11(5-14(15)19(21)22)12-6-17-16(23-7-12)8-24-26(17)10-18(28)25-4-3-13(27)9-25/h1-2,5-8,13,19,27H,3-4,9-10H2/t13-/m1/s1
InChIKeySWUIZSNZQZQTLI-CYBMUJFWSA-N
MW390.37 g/mol
LogP2.77
Rot. Bonds4

About 2-[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]-1-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone

2-[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]-1-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone (PubChem CID 175720717) has the molecular formula C19H17F3N4O2 and a molecular weight of 390.37 g/mol. Its IUPAC name is 2-[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]-1-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]-1-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone
PubChem CID175720717
Molecular FormulaC19H17F3N4O2
Molecular Weight390.37 g/mol
Exact Mass390.13
IUPAC Name2-[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]-1-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone
SMILESO=C(Cn1ncc2ncc(-c3ccc(F)c(C(F)F)c3)cc21)N1CC[C@@H](O)C1
InChIInChI=1S/C19H17F3N4O2/c20-15-2-1-11(5-14(15)19(21)22)12-6-17-16(23-7-12)8-24-26(17)10-18(28)25-4-3-13(27)9-25/h1-2,5-8,13,19,27H,3-4,9-10H2/t13-/m1/s1
InChIKeySWUIZSNZQZQTLI-CYBMUJFWSA-N
XLogP2.77
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.37
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]-1-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone?
The IUPAC name of 2-[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]-1-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone (CID 175720717) is 2-[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]-1-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]-1-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]-1-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone is O=C(Cn1ncc2ncc(-c3ccc(F)c(C(F)F)c3)cc21)N1CC[C@@H](O)C1.
What is the InChIKey of 2-[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]-1-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone?
The InChIKey is SWUIZSNZQZQTLI-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H17F3N4O2/c20-15-2-1-11(5-14(15)19(21)22)12-6-17-16(23-7-12)8-24-26(17)10-18(28)25-4-3-13(27)9-25/h1-2,5-8,13,19,27H,3-4,9-10H2/t13-/m1/s1.
What are the key properties of 2-[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]-1-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone?
2-[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]-1-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone has a molecular weight of 390.37 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]-1-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone is sourced from PubChem (CID 175720717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).