ethyl 2-[3-cyclopropyl-4-(difluoromethyl)-6-(1-ethylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-1-yl]acetate

C19H21F2N5O2 — CID 29090076

IUPACethyl 2-[3-cyclopropyl-4-(difluoromethyl)-6-(1-ethylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-1-yl]acetate
SMILESCCOC(=O)Cn1nc(C2CC2)c2c(C(F)F)cc(-c3cnn(CC)c3)nc21
InChIInChI=1S/C19H21F2N5O2/c1-3-25-9-12(8-22-25)14-7-13(18(20)21)16-17(11-5-6-11)24-26(19(16)23-14)10-15(27)28-4-2/h7-9,11,18H,3-6,10H2,1-2H3
InChIKeyVKZZDSJBAPXLKH-UHFFFAOYSA-N
MW389.41 g/mol
LogP3.69
Rot. Bonds7

About ethyl 2-[3-cyclopropyl-4-(difluoromethyl)-6-(1-ethylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-1-yl]acetate

ethyl 2-[3-cyclopropyl-4-(difluoromethyl)-6-(1-ethylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-1-yl]acetate (PubChem CID 29090076) has the molecular formula C19H21F2N5O2 and a molecular weight of 389.41 g/mol. Its IUPAC name is ethyl 2-[3-cyclopropyl-4-(difluoromethyl)-6-(1-ethylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-cyclopropyl-4-(difluoromethyl)-6-(1-ethylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-1-yl]acetate
PubChem CID29090076
Molecular FormulaC19H21F2N5O2
Molecular Weight389.41 g/mol
Exact Mass389.17
IUPAC Nameethyl 2-[3-cyclopropyl-4-(difluoromethyl)-6-(1-ethylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-1-yl]acetate
SMILESCCOC(=O)Cn1nc(C2CC2)c2c(C(F)F)cc(-c3cnn(CC)c3)nc21
InChIInChI=1S/C19H21F2N5O2/c1-3-25-9-12(8-22-25)14-7-13(18(20)21)16-17(11-5-6-11)24-26(19(16)23-14)10-15(27)28-4-2/h7-9,11,18H,3-6,10H2,1-2H3
InChIKeyVKZZDSJBAPXLKH-UHFFFAOYSA-N
XLogP3.69
TPSA74.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-cyclopropyl-4-(difluoromethyl)-6-(1-ethylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-1-yl]acetate?
The IUPAC name of ethyl 2-[3-cyclopropyl-4-(difluoromethyl)-6-(1-ethylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-1-yl]acetate (CID 29090076) is ethyl 2-[3-cyclopropyl-4-(difluoromethyl)-6-(1-ethylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-1-yl]acetate.
What is the SMILES notation for ethyl 2-[3-cyclopropyl-4-(difluoromethyl)-6-(1-ethylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-1-yl]acetate?
The canonical SMILES for ethyl 2-[3-cyclopropyl-4-(difluoromethyl)-6-(1-ethylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-1-yl]acetate is CCOC(=O)Cn1nc(C2CC2)c2c(C(F)F)cc(-c3cnn(CC)c3)nc21.
What is the InChIKey of ethyl 2-[3-cyclopropyl-4-(difluoromethyl)-6-(1-ethylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-1-yl]acetate?
The InChIKey is VKZZDSJBAPXLKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N5O2/c1-3-25-9-12(8-22-25)14-7-13(18(20)21)16-17(11-5-6-11)24-26(19(16)23-14)10-15(27)28-4-2/h7-9,11,18H,3-6,10H2,1-2H3.
What are the key properties of ethyl 2-[3-cyclopropyl-4-(difluoromethyl)-6-(1-ethylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-1-yl]acetate?
ethyl 2-[3-cyclopropyl-4-(difluoromethyl)-6-(1-ethylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-1-yl]acetate has a molecular weight of 389.41 g/mol, XLogP of 3.69, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-cyclopropyl-4-(difluoromethyl)-6-(1-ethylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-1-yl]acetate is sourced from PubChem (CID 29090076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).