3-cyclopropyl-4-(difluoromethyl)-6-(1-ethylpyrazol-4-yl)-1-phenylpyrazolo[5,4-b]pyridine

C21H19F2N5 — CID 19498021

IUPAC3-cyclopropyl-4-(difluoromethyl)-6-(1-ethylpyrazol-4-yl)-1-phenylpyrazolo[5,4-b]pyridine
SMILESCCn1cc(-c2cc(C(F)F)c3c(C4CC4)nn(-c4ccccc4)c3n2)cn1
InChIInChI=1S/C21H19F2N5/c1-2-27-12-14(11-24-27)17-10-16(20(22)23)18-19(13-8-9-13)26-28(21(18)25-17)15-6-4-3-5-7-15/h3-7,10-13,20H,2,8-9H2,1H3
InChIKeyVOTOZEABFKHUPM-UHFFFAOYSA-N
MW379.41 g/mol
LogP5.12
Rot. Bonds5

About 3-cyclopropyl-4-(difluoromethyl)-6-(1-ethylpyrazol-4-yl)-1-phenylpyrazolo[5,4-b]pyridine

3-cyclopropyl-4-(difluoromethyl)-6-(1-ethylpyrazol-4-yl)-1-phenylpyrazolo[5,4-b]pyridine (PubChem CID 19498021) has the molecular formula C21H19F2N5 and a molecular weight of 379.41 g/mol. Its IUPAC name is 3-cyclopropyl-4-(difluoromethyl)-6-(1-ethylpyrazol-4-yl)-1-phenylpyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name3-cyclopropyl-4-(difluoromethyl)-6-(1-ethylpyrazol-4-yl)-1-phenylpyrazolo[5,4-b]pyridine
PubChem CID19498021
Molecular FormulaC21H19F2N5
Molecular Weight379.41 g/mol
Exact Mass379.16
IUPAC Name3-cyclopropyl-4-(difluoromethyl)-6-(1-ethylpyrazol-4-yl)-1-phenylpyrazolo[5,4-b]pyridine
SMILESCCn1cc(-c2cc(C(F)F)c3c(C4CC4)nn(-c4ccccc4)c3n2)cn1
InChIInChI=1S/C21H19F2N5/c1-2-27-12-14(11-24-27)17-10-16(20(22)23)18-19(13-8-9-13)26-28(21(18)25-17)15-6-4-3-5-7-15/h3-7,10-13,20H,2,8-9H2,1H3
InChIKeyVOTOZEABFKHUPM-UHFFFAOYSA-N
XLogP5.12
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.41
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-4-(difluoromethyl)-6-(1-ethylpyrazol-4-yl)-1-phenylpyrazolo[5,4-b]pyridine?
The IUPAC name of 3-cyclopropyl-4-(difluoromethyl)-6-(1-ethylpyrazol-4-yl)-1-phenylpyrazolo[5,4-b]pyridine (CID 19498021) is 3-cyclopropyl-4-(difluoromethyl)-6-(1-ethylpyrazol-4-yl)-1-phenylpyrazolo[5,4-b]pyridine.
What is the SMILES notation for 3-cyclopropyl-4-(difluoromethyl)-6-(1-ethylpyrazol-4-yl)-1-phenylpyrazolo[5,4-b]pyridine?
The canonical SMILES for 3-cyclopropyl-4-(difluoromethyl)-6-(1-ethylpyrazol-4-yl)-1-phenylpyrazolo[5,4-b]pyridine is CCn1cc(-c2cc(C(F)F)c3c(C4CC4)nn(-c4ccccc4)c3n2)cn1.
What is the InChIKey of 3-cyclopropyl-4-(difluoromethyl)-6-(1-ethylpyrazol-4-yl)-1-phenylpyrazolo[5,4-b]pyridine?
The InChIKey is VOTOZEABFKHUPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N5/c1-2-27-12-14(11-24-27)17-10-16(20(22)23)18-19(13-8-9-13)26-28(21(18)25-17)15-6-4-3-5-7-15/h3-7,10-13,20H,2,8-9H2,1H3.
What are the key properties of 3-cyclopropyl-4-(difluoromethyl)-6-(1-ethylpyrazol-4-yl)-1-phenylpyrazolo[5,4-b]pyridine?
3-cyclopropyl-4-(difluoromethyl)-6-(1-ethylpyrazol-4-yl)-1-phenylpyrazolo[5,4-b]pyridine has a molecular weight of 379.41 g/mol, XLogP of 5.12, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-4-(difluoromethyl)-6-(1-ethylpyrazol-4-yl)-1-phenylpyrazolo[5,4-b]pyridine is sourced from PubChem (CID 19498021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).