3-[3,5-difluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-N-propan-2-ylcyclobutan-1-amine

C23H24F2N6 — CID 134327731

IUPAC3-[3,5-difluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-N-propan-2-ylcyclobutan-1-amine
SMILESCC(C)NC1CC(c2cc(F)c(-c3cc4c(-c5cnn(C)c5)n[nH]c4cn3)c(F)c2)C1
InChIInChI=1S/C23H24F2N6/c1-12(2)28-16-4-13(5-16)14-6-18(24)22(19(25)7-14)20-8-17-21(10-26-20)29-30-23(17)15-9-27-31(3)11-15/h6-13,16,28H,4-5H2,1-3H3,(H,29,30)
InChIKeyFFJSLPDQABFYSZ-UHFFFAOYSA-N
MW422.48 g/mol
LogP4.55
Rot. Bonds5

About 3-[3,5-difluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-N-propan-2-ylcyclobutan-1-amine

3-[3,5-difluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-N-propan-2-ylcyclobutan-1-amine (PubChem CID 134327731) has the molecular formula C23H24F2N6 and a molecular weight of 422.48 g/mol. Its IUPAC name is 3-[3,5-difluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-N-propan-2-ylcyclobutan-1-amine.

Molecular Properties

Compound Name3-[3,5-difluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-N-propan-2-ylcyclobutan-1-amine
PubChem CID134327731
Molecular FormulaC23H24F2N6
Molecular Weight422.48 g/mol
Exact Mass422.20
IUPAC Name3-[3,5-difluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-N-propan-2-ylcyclobutan-1-amine
SMILESCC(C)NC1CC(c2cc(F)c(-c3cc4c(-c5cnn(C)c5)n[nH]c4cn3)c(F)c2)C1
InChIInChI=1S/C23H24F2N6/c1-12(2)28-16-4-13(5-16)14-6-18(24)22(19(25)7-14)20-8-17-21(10-26-20)29-30-23(17)15-9-27-31(3)11-15/h6-13,16,28H,4-5H2,1-3H3,(H,29,30)
InChIKeyFFJSLPDQABFYSZ-UHFFFAOYSA-N
XLogP4.55
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.48
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[3,5-difluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-N-propan-2-ylcyclobutan-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[3,5-difluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-N-propan-2-ylcyclobutan-1-amine?
The IUPAC name of 3-[3,5-difluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-N-propan-2-ylcyclobutan-1-amine (CID 134327731) is 3-[3,5-difluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-N-propan-2-ylcyclobutan-1-amine.
What is the SMILES notation for 3-[3,5-difluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-N-propan-2-ylcyclobutan-1-amine?
The canonical SMILES for 3-[3,5-difluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-N-propan-2-ylcyclobutan-1-amine is CC(C)NC1CC(c2cc(F)c(-c3cc4c(-c5cnn(C)c5)n[nH]c4cn3)c(F)c2)C1.
What is the InChIKey of 3-[3,5-difluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-N-propan-2-ylcyclobutan-1-amine?
The InChIKey is FFJSLPDQABFYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N6/c1-12(2)28-16-4-13(5-16)14-6-18(24)22(19(25)7-14)20-8-17-21(10-26-20)29-30-23(17)15-9-27-31(3)11-15/h6-13,16,28H,4-5H2,1-3H3,(H,29,30).
What are the key properties of 3-[3,5-difluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-N-propan-2-ylcyclobutan-1-amine?
3-[3,5-difluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-N-propan-2-ylcyclobutan-1-amine has a molecular weight of 422.48 g/mol, XLogP of 4.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,5-difluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-N-propan-2-ylcyclobutan-1-amine is sourced from PubChem (CID 134327731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).