1-N'-[3-(2,2-difluoroethoxy)-1H-pyrazolo[4,3-c]pyridin-6-yl]ethene-1,1-diamine

C10H11F2N5O — CID 144599213

IUPAC1-N'-[3-(2,2-difluoroethoxy)-1H-pyrazolo[4,3-c]pyridin-6-yl]ethene-1,1-diamine
SMILESC=C(N)Nc1cc2[nH]nc(OCC(F)F)c2cn1
InChIInChI=1S/C10H11F2N5O/c1-5(13)15-9-2-7-6(3-14-9)10(17-16-7)18-4-8(11)12/h2-3,8H,1,4,13H2,(H,14,15)(H,16,17)
InChIKeyABTTVXJTXKWZIV-UHFFFAOYSA-N
MW255.23 g/mol
LogP1.44
Rot. Bonds5

About 1-N'-[3-(2,2-difluoroethoxy)-1H-pyrazolo[4,3-c]pyridin-6-yl]ethene-1,1-diamine

1-N'-[3-(2,2-difluoroethoxy)-1H-pyrazolo[4,3-c]pyridin-6-yl]ethene-1,1-diamine (PubChem CID 144599213) has the molecular formula C10H11F2N5O and a molecular weight of 255.23 g/mol. Its IUPAC name is 1-N'-[3-(2,2-difluoroethoxy)-1H-pyrazolo[4,3-c]pyridin-6-yl]ethene-1,1-diamine.

Molecular Properties

Compound Name1-N'-[3-(2,2-difluoroethoxy)-1H-pyrazolo[4,3-c]pyridin-6-yl]ethene-1,1-diamine
PubChem CID144599213
Molecular FormulaC10H11F2N5O
Molecular Weight255.23 g/mol
Exact Mass255.09
IUPAC Name1-N'-[3-(2,2-difluoroethoxy)-1H-pyrazolo[4,3-c]pyridin-6-yl]ethene-1,1-diamine
SMILESC=C(N)Nc1cc2[nH]nc(OCC(F)F)c2cn1
InChIInChI=1S/C10H11F2N5O/c1-5(13)15-9-2-7-6(3-14-9)10(17-16-7)18-4-8(11)12/h2-3,8H,1,4,13H2,(H,14,15)(H,16,17)
InChIKeyABTTVXJTXKWZIV-UHFFFAOYSA-N
XLogP1.44
TPSA88.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-N'-[3-(2,2-difluoroethoxy)-1H-pyrazolo[4,3-c]pyridin-6-yl]ethene-1,1-diamine?
The IUPAC name of 1-N'-[3-(2,2-difluoroethoxy)-1H-pyrazolo[4,3-c]pyridin-6-yl]ethene-1,1-diamine (CID 144599213) is 1-N'-[3-(2,2-difluoroethoxy)-1H-pyrazolo[4,3-c]pyridin-6-yl]ethene-1,1-diamine.
What is the SMILES notation for 1-N'-[3-(2,2-difluoroethoxy)-1H-pyrazolo[4,3-c]pyridin-6-yl]ethene-1,1-diamine?
The canonical SMILES for 1-N'-[3-(2,2-difluoroethoxy)-1H-pyrazolo[4,3-c]pyridin-6-yl]ethene-1,1-diamine is C=C(N)Nc1cc2[nH]nc(OCC(F)F)c2cn1.
What is the InChIKey of 1-N'-[3-(2,2-difluoroethoxy)-1H-pyrazolo[4,3-c]pyridin-6-yl]ethene-1,1-diamine?
The InChIKey is ABTTVXJTXKWZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2N5O/c1-5(13)15-9-2-7-6(3-14-9)10(17-16-7)18-4-8(11)12/h2-3,8H,1,4,13H2,(H,14,15)(H,16,17).
What are the key properties of 1-N'-[3-(2,2-difluoroethoxy)-1H-pyrazolo[4,3-c]pyridin-6-yl]ethene-1,1-diamine?
1-N'-[3-(2,2-difluoroethoxy)-1H-pyrazolo[4,3-c]pyridin-6-yl]ethene-1,1-diamine has a molecular weight of 255.23 g/mol, XLogP of 1.44, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-[3-(2,2-difluoroethoxy)-1H-pyrazolo[4,3-c]pyridin-6-yl]ethene-1,1-diamine is sourced from PubChem (CID 144599213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).