N-[5-[1-(4,4-difluoropiperidin-1-yl)ethenyl]naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine

C23H21F2N5 — CID 134191484

IUPACN-[5-[1-(4,4-difluoropiperidin-1-yl)ethenyl]naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine
SMILESC=C(c1cccc2cc(Nc3n[nH]c4cccnc34)ccc12)N1CCC(F)(F)CC1
InChIInChI=1S/C23H21F2N5/c1-15(30-12-9-23(24,25)10-13-30)18-5-2-4-16-14-17(7-8-19(16)18)27-22-21-20(28-29-22)6-3-11-26-21/h2-8,11,14H,1,9-10,12-13H2,(H2,27,28,29)
InChIKeyGQSRQXSZHQDVLJ-UHFFFAOYSA-N
MW405.45 g/mol
LogP5.56
Rot. Bonds4

About N-[5-[1-(4,4-difluoropiperidin-1-yl)ethenyl]naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine

N-[5-[1-(4,4-difluoropiperidin-1-yl)ethenyl]naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine (PubChem CID 134191484) has the molecular formula C23H21F2N5 and a molecular weight of 405.45 g/mol. Its IUPAC name is N-[5-[1-(4,4-difluoropiperidin-1-yl)ethenyl]naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine.

Molecular Properties

Compound NameN-[5-[1-(4,4-difluoropiperidin-1-yl)ethenyl]naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine
PubChem CID134191484
Molecular FormulaC23H21F2N5
Molecular Weight405.45 g/mol
Exact Mass405.18
IUPAC NameN-[5-[1-(4,4-difluoropiperidin-1-yl)ethenyl]naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine
SMILESC=C(c1cccc2cc(Nc3n[nH]c4cccnc34)ccc12)N1CCC(F)(F)CC1
InChIInChI=1S/C23H21F2N5/c1-15(30-12-9-23(24,25)10-13-30)18-5-2-4-16-14-17(7-8-19(16)18)27-22-21-20(28-29-22)6-3-11-26-21/h2-8,11,14H,1,9-10,12-13H2,(H2,27,28,29)
InChIKeyGQSRQXSZHQDVLJ-UHFFFAOYSA-N
XLogP5.56
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.45
LogP ≤ 55.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[5-[1-(4,4-difluoropiperidin-1-yl)ethenyl]naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-(4,4-difluoropiperidin-1-yl)ethenyl]naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine?
The IUPAC name of N-[5-[1-(4,4-difluoropiperidin-1-yl)ethenyl]naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine (CID 134191484) is N-[5-[1-(4,4-difluoropiperidin-1-yl)ethenyl]naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine.
What is the SMILES notation for N-[5-[1-(4,4-difluoropiperidin-1-yl)ethenyl]naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine?
The canonical SMILES for N-[5-[1-(4,4-difluoropiperidin-1-yl)ethenyl]naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine is C=C(c1cccc2cc(Nc3n[nH]c4cccnc34)ccc12)N1CCC(F)(F)CC1.
What is the InChIKey of N-[5-[1-(4,4-difluoropiperidin-1-yl)ethenyl]naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine?
The InChIKey is GQSRQXSZHQDVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F2N5/c1-15(30-12-9-23(24,25)10-13-30)18-5-2-4-16-14-17(7-8-19(16)18)27-22-21-20(28-29-22)6-3-11-26-21/h2-8,11,14H,1,9-10,12-13H2,(H2,27,28,29).
What are the key properties of N-[5-[1-(4,4-difluoropiperidin-1-yl)ethenyl]naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine?
N-[5-[1-(4,4-difluoropiperidin-1-yl)ethenyl]naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine has a molecular weight of 405.45 g/mol, XLogP of 5.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-(4,4-difluoropiperidin-1-yl)ethenyl]naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine is sourced from PubChem (CID 134191484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).