N-(3,5-difluorophenyl)-1H-pyrazolo[4,3-b]pyridin-3-amine

C12H8F2N4 — CID 53374405

IUPACN-(3,5-difluorophenyl)-1H-pyrazolo[4,3-b]pyridin-3-amine
SMILESFc1cc(F)cc(Nc2n[nH]c3cccnc23)c1
InChIInChI=1S/C12H8F2N4/c13-7-4-8(14)6-9(5-7)16-12-11-10(17-18-12)2-1-3-15-11/h1-6H,(H2,16,17,18)
InChIKeyPHZLBOTWNAQTGD-UHFFFAOYSA-N
MW246.22 g/mol
LogP2.98
Rot. Bonds2

About N-(3,5-difluorophenyl)-1H-pyrazolo[4,3-b]pyridin-3-amine

N-(3,5-difluorophenyl)-1H-pyrazolo[4,3-b]pyridin-3-amine (PubChem CID 53374405) has the molecular formula C12H8F2N4 and a molecular weight of 246.22 g/mol. Its IUPAC name is N-(3,5-difluorophenyl)-1H-pyrazolo[4,3-b]pyridin-3-amine.

Molecular Properties

Compound NameN-(3,5-difluorophenyl)-1H-pyrazolo[4,3-b]pyridin-3-amine
PubChem CID53374405
Molecular FormulaC12H8F2N4
Molecular Weight246.22 g/mol
Exact Mass246.07
IUPAC NameN-(3,5-difluorophenyl)-1H-pyrazolo[4,3-b]pyridin-3-amine
SMILESFc1cc(F)cc(Nc2n[nH]c3cccnc23)c1
InChIInChI=1S/C12H8F2N4/c13-7-4-8(14)6-9(5-7)16-12-11-10(17-18-12)2-1-3-15-11/h1-6H,(H2,16,17,18)
InChIKeyPHZLBOTWNAQTGD-UHFFFAOYSA-N
XLogP2.98
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.22
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluorophenyl)-1H-pyrazolo[4,3-b]pyridin-3-amine?
The IUPAC name of N-(3,5-difluorophenyl)-1H-pyrazolo[4,3-b]pyridin-3-amine (CID 53374405) is N-(3,5-difluorophenyl)-1H-pyrazolo[4,3-b]pyridin-3-amine.
What is the SMILES notation for N-(3,5-difluorophenyl)-1H-pyrazolo[4,3-b]pyridin-3-amine?
The canonical SMILES for N-(3,5-difluorophenyl)-1H-pyrazolo[4,3-b]pyridin-3-amine is Fc1cc(F)cc(Nc2n[nH]c3cccnc23)c1.
What is the InChIKey of N-(3,5-difluorophenyl)-1H-pyrazolo[4,3-b]pyridin-3-amine?
The InChIKey is PHZLBOTWNAQTGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F2N4/c13-7-4-8(14)6-9(5-7)16-12-11-10(17-18-12)2-1-3-15-11/h1-6H,(H2,16,17,18).
What are the key properties of N-(3,5-difluorophenyl)-1H-pyrazolo[4,3-b]pyridin-3-amine?
N-(3,5-difluorophenyl)-1H-pyrazolo[4,3-b]pyridin-3-amine has a molecular weight of 246.22 g/mol, XLogP of 2.98, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluorophenyl)-1H-pyrazolo[4,3-b]pyridin-3-amine is sourced from PubChem (CID 53374405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).