3-[3-[1-[5,7-difluoro-3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]triazolo[4,5-b]pyrazin-5-yl]pyridin-2-amine

C24H18F2N10 — CID 141456385

IUPAC3-[3-[1-[5,7-difluoro-3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]triazolo[4,5-b]pyrazin-5-yl]pyridin-2-amine
SMILESCC(c1c(F)cc2ncc(-c3cnn(C)c3)cc2c1F)n1nnc2ncc(-c3cccnc3N)nc21
InChIInChI=1S/C24H18F2N10/c1-12(36-24-23(33-34-36)30-10-19(32-24)15-4-3-5-28-22(15)27)20-17(25)7-18-16(21(20)26)6-13(8-29-18)14-9-31-35(2)11-14/h3-12H,1-2H3,(H2,27,28)
InChIKeyDBSGRISGPSJRHK-UHFFFAOYSA-N
MW484.47 g/mol
LogP3.70
Rot. Bonds4

About 3-[3-[1-[5,7-difluoro-3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]triazolo[4,5-b]pyrazin-5-yl]pyridin-2-amine

3-[3-[1-[5,7-difluoro-3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]triazolo[4,5-b]pyrazin-5-yl]pyridin-2-amine (PubChem CID 141456385) has the molecular formula C24H18F2N10 and a molecular weight of 484.47 g/mol. Its IUPAC name is 3-[3-[1-[5,7-difluoro-3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]triazolo[4,5-b]pyrazin-5-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-[3-[1-[5,7-difluoro-3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]triazolo[4,5-b]pyrazin-5-yl]pyridin-2-amine
PubChem CID141456385
Molecular FormulaC24H18F2N10
Molecular Weight484.47 g/mol
Exact Mass484.17
IUPAC Name3-[3-[1-[5,7-difluoro-3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]triazolo[4,5-b]pyrazin-5-yl]pyridin-2-amine
SMILESCC(c1c(F)cc2ncc(-c3cnn(C)c3)cc2c1F)n1nnc2ncc(-c3cccnc3N)nc21
InChIInChI=1S/C24H18F2N10/c1-12(36-24-23(33-34-36)30-10-19(32-24)15-4-3-5-28-22(15)27)20-17(25)7-18-16(21(20)26)6-13(8-29-18)14-9-31-35(2)11-14/h3-12H,1-2H3,(H2,27,28)
InChIKeyDBSGRISGPSJRHK-UHFFFAOYSA-N
XLogP3.70
TPSA126.11 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.47
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[1-[5,7-difluoro-3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]triazolo[4,5-b]pyrazin-5-yl]pyridin-2-amine?
The IUPAC name of 3-[3-[1-[5,7-difluoro-3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]triazolo[4,5-b]pyrazin-5-yl]pyridin-2-amine (CID 141456385) is 3-[3-[1-[5,7-difluoro-3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]triazolo[4,5-b]pyrazin-5-yl]pyridin-2-amine.
What is the SMILES notation for 3-[3-[1-[5,7-difluoro-3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]triazolo[4,5-b]pyrazin-5-yl]pyridin-2-amine?
The canonical SMILES for 3-[3-[1-[5,7-difluoro-3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]triazolo[4,5-b]pyrazin-5-yl]pyridin-2-amine is CC(c1c(F)cc2ncc(-c3cnn(C)c3)cc2c1F)n1nnc2ncc(-c3cccnc3N)nc21.
What is the InChIKey of 3-[3-[1-[5,7-difluoro-3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]triazolo[4,5-b]pyrazin-5-yl]pyridin-2-amine?
The InChIKey is DBSGRISGPSJRHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F2N10/c1-12(36-24-23(33-34-36)30-10-19(32-24)15-4-3-5-28-22(15)27)20-17(25)7-18-16(21(20)26)6-13(8-29-18)14-9-31-35(2)11-14/h3-12H,1-2H3,(H2,27,28).
What are the key properties of 3-[3-[1-[5,7-difluoro-3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]triazolo[4,5-b]pyrazin-5-yl]pyridin-2-amine?
3-[3-[1-[5,7-difluoro-3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]triazolo[4,5-b]pyrazin-5-yl]pyridin-2-amine has a molecular weight of 484.47 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[1-[5,7-difluoro-3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]triazolo[4,5-b]pyrazin-5-yl]pyridin-2-amine is sourced from PubChem (CID 141456385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).