2-[3-cyclopropyl-6-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetic acid

C18H14F3N3O2 — CID 19625281

IUPAC2-[3-cyclopropyl-6-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetic acid
SMILESO=C(O)Cn1nc(C2CC2)c2c(C(F)(F)F)cc(-c3ccccc3)nc21
InChIInChI=1S/C18H14F3N3O2/c19-18(20,21)12-8-13(10-4-2-1-3-5-10)22-17-15(12)16(11-6-7-11)23-24(17)9-14(25)26/h1-5,8,11H,6-7,9H2,(H,25,26)
InChIKeySNHAJCQBHJMEDU-UHFFFAOYSA-N
MW361.32 g/mol
LogP4.08
Rot. Bonds4

About 2-[3-cyclopropyl-6-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetic acid

2-[3-cyclopropyl-6-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetic acid (PubChem CID 19625281) has the molecular formula C18H14F3N3O2 and a molecular weight of 361.32 g/mol. Its IUPAC name is 2-[3-cyclopropyl-6-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-cyclopropyl-6-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetic acid
PubChem CID19625281
Molecular FormulaC18H14F3N3O2
Molecular Weight361.32 g/mol
Exact Mass361.10
IUPAC Name2-[3-cyclopropyl-6-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetic acid
SMILESO=C(O)Cn1nc(C2CC2)c2c(C(F)(F)F)cc(-c3ccccc3)nc21
InChIInChI=1S/C18H14F3N3O2/c19-18(20,21)12-8-13(10-4-2-1-3-5-10)22-17-15(12)16(11-6-7-11)23-24(17)9-14(25)26/h1-5,8,11H,6-7,9H2,(H,25,26)
InChIKeySNHAJCQBHJMEDU-UHFFFAOYSA-N
XLogP4.08
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.32
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-cyclopropyl-6-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetic acid?
The IUPAC name of 2-[3-cyclopropyl-6-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetic acid (CID 19625281) is 2-[3-cyclopropyl-6-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetic acid.
What is the SMILES notation for 2-[3-cyclopropyl-6-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetic acid?
The canonical SMILES for 2-[3-cyclopropyl-6-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetic acid is O=C(O)Cn1nc(C2CC2)c2c(C(F)(F)F)cc(-c3ccccc3)nc21.
What is the InChIKey of 2-[3-cyclopropyl-6-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetic acid?
The InChIKey is SNHAJCQBHJMEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O2/c19-18(20,21)12-8-13(10-4-2-1-3-5-10)22-17-15(12)16(11-6-7-11)23-24(17)9-14(25)26/h1-5,8,11H,6-7,9H2,(H,25,26).
What are the key properties of 2-[3-cyclopropyl-6-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetic acid?
2-[3-cyclopropyl-6-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetic acid has a molecular weight of 361.32 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-cyclopropyl-6-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetic acid is sourced from PubChem (CID 19625281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).