5-(2,6-difluorophenyl)-7-(1-methylpyrazol-3-yl)-1,4-dihydropyrazolo[4,5-c]pyridin-3-amine

C16H14F2N6 — CID 150513915

IUPAC5-(2,6-difluorophenyl)-7-(1-methylpyrazol-3-yl)-1,4-dihydropyrazolo[4,5-c]pyridin-3-amine
SMILESCn1ccc(C2=CN(c3c(F)cccc3F)Cc3c(N)n[nH]c32)n1
InChIInChI=1S/C16H14F2N6/c1-23-6-5-13(22-23)9-7-24(8-10-14(9)20-21-16(10)19)15-11(17)3-2-4-12(15)18/h2-7H,8H2,1H3,(H3,19,20,21)
InChIKeyIAKSYFLPIOGSFB-UHFFFAOYSA-N
MW328.33 g/mol
LogP2.41
Rot. Bonds2

About 5-(2,6-difluorophenyl)-7-(1-methylpyrazol-3-yl)-1,4-dihydropyrazolo[4,5-c]pyridin-3-amine

5-(2,6-difluorophenyl)-7-(1-methylpyrazol-3-yl)-1,4-dihydropyrazolo[4,5-c]pyridin-3-amine (PubChem CID 150513915) has the molecular formula C16H14F2N6 and a molecular weight of 328.33 g/mol. Its IUPAC name is 5-(2,6-difluorophenyl)-7-(1-methylpyrazol-3-yl)-1,4-dihydropyrazolo[4,5-c]pyridin-3-amine.

Molecular Properties

Compound Name5-(2,6-difluorophenyl)-7-(1-methylpyrazol-3-yl)-1,4-dihydropyrazolo[4,5-c]pyridin-3-amine
PubChem CID150513915
Molecular FormulaC16H14F2N6
Molecular Weight328.33 g/mol
Exact Mass328.12
IUPAC Name5-(2,6-difluorophenyl)-7-(1-methylpyrazol-3-yl)-1,4-dihydropyrazolo[4,5-c]pyridin-3-amine
SMILESCn1ccc(C2=CN(c3c(F)cccc3F)Cc3c(N)n[nH]c32)n1
InChIInChI=1S/C16H14F2N6/c1-23-6-5-13(22-23)9-7-24(8-10-14(9)20-21-16(10)19)15-11(17)3-2-4-12(15)18/h2-7H,8H2,1H3,(H3,19,20,21)
InChIKeyIAKSYFLPIOGSFB-UHFFFAOYSA-N
XLogP2.41
TPSA75.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.33
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2,6-difluorophenyl)-7-(1-methylpyrazol-3-yl)-1,4-dihydropyrazolo[4,5-c]pyridin-3-amine?
The IUPAC name of 5-(2,6-difluorophenyl)-7-(1-methylpyrazol-3-yl)-1,4-dihydropyrazolo[4,5-c]pyridin-3-amine (CID 150513915) is 5-(2,6-difluorophenyl)-7-(1-methylpyrazol-3-yl)-1,4-dihydropyrazolo[4,5-c]pyridin-3-amine.
What is the SMILES notation for 5-(2,6-difluorophenyl)-7-(1-methylpyrazol-3-yl)-1,4-dihydropyrazolo[4,5-c]pyridin-3-amine?
The canonical SMILES for 5-(2,6-difluorophenyl)-7-(1-methylpyrazol-3-yl)-1,4-dihydropyrazolo[4,5-c]pyridin-3-amine is Cn1ccc(C2=CN(c3c(F)cccc3F)Cc3c(N)n[nH]c32)n1.
What is the InChIKey of 5-(2,6-difluorophenyl)-7-(1-methylpyrazol-3-yl)-1,4-dihydropyrazolo[4,5-c]pyridin-3-amine?
The InChIKey is IAKSYFLPIOGSFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N6/c1-23-6-5-13(22-23)9-7-24(8-10-14(9)20-21-16(10)19)15-11(17)3-2-4-12(15)18/h2-7H,8H2,1H3,(H3,19,20,21).
What are the key properties of 5-(2,6-difluorophenyl)-7-(1-methylpyrazol-3-yl)-1,4-dihydropyrazolo[4,5-c]pyridin-3-amine?
5-(2,6-difluorophenyl)-7-(1-methylpyrazol-3-yl)-1,4-dihydropyrazolo[4,5-c]pyridin-3-amine has a molecular weight of 328.33 g/mol, XLogP of 2.41, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-difluorophenyl)-7-(1-methylpyrazol-3-yl)-1,4-dihydropyrazolo[4,5-c]pyridin-3-amine is sourced from PubChem (CID 150513915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).