N-[(1R)-1-(3,5-difluorophenyl)ethyl]-3-[(E)-2-pyridin-2-ylethenyl]-1H-pyrazolo[3,4-c]pyridin-5-amine

C21H17F2N5 — CID 156734041

IUPACN-[(1R)-1-(3,5-difluorophenyl)ethyl]-3-[(E)-2-pyridin-2-ylethenyl]-1H-pyrazolo[3,4-c]pyridin-5-amine
SMILESC[C@@H](Nc1cc2c(/C=C/c3ccccn3)n[nH]c2cn1)c1cc(F)cc(F)c1
InChIInChI=1S/C21H17F2N5/c1-13(14-8-15(22)10-16(23)9-14)26-21-11-18-19(27-28-20(18)12-25-21)6-5-17-4-2-3-7-24-17/h2-13H,1H3,(H,25,26)(H,27,28)/b6-5+/t13-/m1/s1
InChIKeyFKYCKUNUHBHXMR-URWSZGRFSA-N
MW377.40 g/mol
LogP4.97
Rot. Bonds5

About N-[(1R)-1-(3,5-difluorophenyl)ethyl]-3-[(E)-2-pyridin-2-ylethenyl]-1H-pyrazolo[3,4-c]pyridin-5-amine

N-[(1R)-1-(3,5-difluorophenyl)ethyl]-3-[(E)-2-pyridin-2-ylethenyl]-1H-pyrazolo[3,4-c]pyridin-5-amine (PubChem CID 156734041) has the molecular formula C21H17F2N5 and a molecular weight of 377.40 g/mol. Its IUPAC name is N-[(1R)-1-(3,5-difluorophenyl)ethyl]-3-[(E)-2-pyridin-2-ylethenyl]-1H-pyrazolo[3,4-c]pyridin-5-amine.

Molecular Properties

Compound NameN-[(1R)-1-(3,5-difluorophenyl)ethyl]-3-[(E)-2-pyridin-2-ylethenyl]-1H-pyrazolo[3,4-c]pyridin-5-amine
PubChem CID156734041
Molecular FormulaC21H17F2N5
Molecular Weight377.40 g/mol
Exact Mass377.15
IUPAC NameN-[(1R)-1-(3,5-difluorophenyl)ethyl]-3-[(E)-2-pyridin-2-ylethenyl]-1H-pyrazolo[3,4-c]pyridin-5-amine
SMILESC[C@@H](Nc1cc2c(/C=C/c3ccccn3)n[nH]c2cn1)c1cc(F)cc(F)c1
InChIInChI=1S/C21H17F2N5/c1-13(14-8-15(22)10-16(23)9-14)26-21-11-18-19(27-28-20(18)12-25-21)6-5-17-4-2-3-7-24-17/h2-13H,1H3,(H,25,26)(H,27,28)/b6-5+/t13-/m1/s1
InChIKeyFKYCKUNUHBHXMR-URWSZGRFSA-N
XLogP4.97
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-(3,5-difluorophenyl)ethyl]-3-[(E)-2-phenylethenyl]-1H-indazol-5-amine
CID 156734075
3-(2-pyridin-2-ylethenyl)-1H-indazol-6-amine
CID 69464204
N-[1-(4-chlorophenyl)ethyl]-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide
CID 134132557
N-methyl-2-[[3-[(Z)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide;N-methyl-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide
CID 162040435
N-hydroxy-N-methyl-2-[[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]sulfanyl]benzamide
CID 91341062
N-butan-2-yl-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide
CID 134156418
1-pyridin-3-yl-3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]urea
CID 54765950
N-ethoxy-2-[[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]sulfanyl]benzamide
CID 91606124
2-[[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]sulfanyl]-N-(trideuterio(113C)methyl)benzamide
CID 131871370
N-(2-methylbutyl)-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide
CID 134134475
2-amino-N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]propanamide
CID 156760487
N-ethoxy-3-fluoro-2-[[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]sulfanyl]benzamide
CID 91130829

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3,5-difluorophenyl)ethyl]-3-[(E)-2-pyridin-2-ylethenyl]-1H-pyrazolo[3,4-c]pyridin-5-amine?
The IUPAC name of N-[(1R)-1-(3,5-difluorophenyl)ethyl]-3-[(E)-2-pyridin-2-ylethenyl]-1H-pyrazolo[3,4-c]pyridin-5-amine (CID 156734041) is N-[(1R)-1-(3,5-difluorophenyl)ethyl]-3-[(E)-2-pyridin-2-ylethenyl]-1H-pyrazolo[3,4-c]pyridin-5-amine.
What is the SMILES notation for N-[(1R)-1-(3,5-difluorophenyl)ethyl]-3-[(E)-2-pyridin-2-ylethenyl]-1H-pyrazolo[3,4-c]pyridin-5-amine?
The canonical SMILES for N-[(1R)-1-(3,5-difluorophenyl)ethyl]-3-[(E)-2-pyridin-2-ylethenyl]-1H-pyrazolo[3,4-c]pyridin-5-amine is C[C@@H](Nc1cc2c(/C=C/c3ccccn3)n[nH]c2cn1)c1cc(F)cc(F)c1.
What is the InChIKey of N-[(1R)-1-(3,5-difluorophenyl)ethyl]-3-[(E)-2-pyridin-2-ylethenyl]-1H-pyrazolo[3,4-c]pyridin-5-amine?
The InChIKey is FKYCKUNUHBHXMR-URWSZGRFSA-N. The full InChI is InChI=1S/C21H17F2N5/c1-13(14-8-15(22)10-16(23)9-14)26-21-11-18-19(27-28-20(18)12-25-21)6-5-17-4-2-3-7-24-17/h2-13H,1H3,(H,25,26)(H,27,28)/b6-5+/t13-/m1/s1.
What are the key properties of N-[(1R)-1-(3,5-difluorophenyl)ethyl]-3-[(E)-2-pyridin-2-ylethenyl]-1H-pyrazolo[3,4-c]pyridin-5-amine?
N-[(1R)-1-(3,5-difluorophenyl)ethyl]-3-[(E)-2-pyridin-2-ylethenyl]-1H-pyrazolo[3,4-c]pyridin-5-amine has a molecular weight of 377.40 g/mol, XLogP of 4.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3,5-difluorophenyl)ethyl]-3-[(E)-2-pyridin-2-ylethenyl]-1H-pyrazolo[3,4-c]pyridin-5-amine is sourced from PubChem (CID 156734041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).