2-[5-fluoro-1-(3,3,4,4,4-pentafluorobutyl)pyrazolo[5,4-b]pyridin-3-yl]pyrido[2,3-d]pyrimidin-4-amine

C17H11F6N7 — CID 71736526

IUPAC2-[5-fluoro-1-(3,3,4,4,4-pentafluorobutyl)pyrazolo[5,4-b]pyridin-3-yl]pyrido[2,3-d]pyrimidin-4-amine
SMILESNc1nc(-c2nn(CCC(F)(F)C(F)(F)F)c3ncc(F)cc23)nc2ncccc12
InChIInChI=1S/C17H11F6N7/c18-8-6-10-11(14-27-12(24)9-2-1-4-25-13(9)28-14)29-30(15(10)26-7-8)5-3-16(19,20)17(21,22)23/h1-2,4,6-7H,3,5H2,(H2,24,25,27,28)
InChIKeySWAHPNQGAQAHGE-UHFFFAOYSA-N
MW427.31 g/mol
LogP3.75
Rot. Bonds4

About 2-[5-fluoro-1-(3,3,4,4,4-pentafluorobutyl)pyrazolo[5,4-b]pyridin-3-yl]pyrido[2,3-d]pyrimidin-4-amine

2-[5-fluoro-1-(3,3,4,4,4-pentafluorobutyl)pyrazolo[5,4-b]pyridin-3-yl]pyrido[2,3-d]pyrimidin-4-amine (PubChem CID 71736526) has the molecular formula C17H11F6N7 and a molecular weight of 427.31 g/mol. Its IUPAC name is 2-[5-fluoro-1-(3,3,4,4,4-pentafluorobutyl)pyrazolo[5,4-b]pyridin-3-yl]pyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[5-fluoro-1-(3,3,4,4,4-pentafluorobutyl)pyrazolo[5,4-b]pyridin-3-yl]pyrido[2,3-d]pyrimidin-4-amine
PubChem CID71736526
Molecular FormulaC17H11F6N7
Molecular Weight427.31 g/mol
Exact Mass427.10
IUPAC Name2-[5-fluoro-1-(3,3,4,4,4-pentafluorobutyl)pyrazolo[5,4-b]pyridin-3-yl]pyrido[2,3-d]pyrimidin-4-amine
SMILESNc1nc(-c2nn(CCC(F)(F)C(F)(F)F)c3ncc(F)cc23)nc2ncccc12
InChIInChI=1S/C17H11F6N7/c18-8-6-10-11(14-27-12(24)9-2-1-4-25-13(9)28-14)29-30(15(10)26-7-8)5-3-16(19,20)17(21,22)23/h1-2,4,6-7H,3,5H2,(H2,24,25,27,28)
InChIKeySWAHPNQGAQAHGE-UHFFFAOYSA-N
XLogP3.75
TPSA95.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.31
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[5-fluoro-1-(3,3,4,4,4-pentafluorobutyl)pyrazolo[5,4-b]pyridin-3-yl]pyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-[5-fluoro-1-(3,3,4,4,4-pentafluorobutyl)pyrazolo[5,4-b]pyridin-3-yl]pyrido[2,3-d]pyrimidin-4-amine (CID 71736526) is 2-[5-fluoro-1-(3,3,4,4,4-pentafluorobutyl)pyrazolo[5,4-b]pyridin-3-yl]pyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[5-fluoro-1-(3,3,4,4,4-pentafluorobutyl)pyrazolo[5,4-b]pyridin-3-yl]pyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-[5-fluoro-1-(3,3,4,4,4-pentafluorobutyl)pyrazolo[5,4-b]pyridin-3-yl]pyrido[2,3-d]pyrimidin-4-amine is Nc1nc(-c2nn(CCC(F)(F)C(F)(F)F)c3ncc(F)cc23)nc2ncccc12.
What is the InChIKey of 2-[5-fluoro-1-(3,3,4,4,4-pentafluorobutyl)pyrazolo[5,4-b]pyridin-3-yl]pyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is SWAHPNQGAQAHGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F6N7/c18-8-6-10-11(14-27-12(24)9-2-1-4-25-13(9)28-14)29-30(15(10)26-7-8)5-3-16(19,20)17(21,22)23/h1-2,4,6-7H,3,5H2,(H2,24,25,27,28).
What are the key properties of 2-[5-fluoro-1-(3,3,4,4,4-pentafluorobutyl)pyrazolo[5,4-b]pyridin-3-yl]pyrido[2,3-d]pyrimidin-4-amine?
2-[5-fluoro-1-(3,3,4,4,4-pentafluorobutyl)pyrazolo[5,4-b]pyridin-3-yl]pyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 427.31 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-fluoro-1-(3,3,4,4,4-pentafluorobutyl)pyrazolo[5,4-b]pyridin-3-yl]pyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 71736526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).