2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-4-amine

C17H13FN6 — CID 10064603

IUPAC2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-4-amine
SMILESNc1ccnc(-c2nn(Cc3ccccc3F)c3ncccc23)n1
InChIInChI=1S/C17H13FN6/c18-13-6-2-1-4-11(13)10-24-17-12(5-3-8-21-17)15(23-24)16-20-9-7-14(19)22-16/h1-9H,10H2,(H2,19,20,22)
InChIKeySZTDIBRPCUKACV-UHFFFAOYSA-N
MW320.33 g/mol
LogP2.66
Rot. Bonds3

About 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-4-amine

2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-4-amine (PubChem CID 10064603) has the molecular formula C17H13FN6 and a molecular weight of 320.33 g/mol. Its IUPAC name is 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-4-amine
PubChem CID10064603
Molecular FormulaC17H13FN6
Molecular Weight320.33 g/mol
Exact Mass320.12
IUPAC Name2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-4-amine
SMILESNc1ccnc(-c2nn(Cc3ccccc3F)c3ncccc23)n1
InChIInChI=1S/C17H13FN6/c18-13-6-2-1-4-11(13)10-24-17-12(5-3-8-21-17)15(23-24)16-20-9-7-14(19)22-16/h1-9H,10H2,(H2,19,20,22)
InChIKeySZTDIBRPCUKACV-UHFFFAOYSA-N
XLogP2.66
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.33
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-4-amine?
The IUPAC name of 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-4-amine (CID 10064603) is 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-4-amine.
What is the SMILES notation for 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-4-amine?
The canonical SMILES for 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-4-amine is Nc1ccnc(-c2nn(Cc3ccccc3F)c3ncccc23)n1.
What is the InChIKey of 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-4-amine?
The InChIKey is SZTDIBRPCUKACV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN6/c18-13-6-2-1-4-11(13)10-24-17-12(5-3-8-21-17)15(23-24)16-20-9-7-14(19)22-16/h1-9H,10H2,(H2,19,20,22).
What are the key properties of 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-4-amine?
2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-4-amine has a molecular weight of 320.33 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 10064603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).