3-bromo-1-[2-(2-fluoropropan-2-yl)-6-methylpyrimidin-4-yl]-N-methylpyrazolo[4,3-c]pyridin-6-amine

C15H16BrFN6 — CID 170577783

IUPAC3-bromo-1-[2-(2-fluoropropan-2-yl)-6-methylpyrimidin-4-yl]-N-methylpyrazolo[4,3-c]pyridin-6-amine
SMILESCNc1cc2c(cn1)c(Br)nn2-c1cc(C)nc(C(C)(C)F)n1
InChIInChI=1S/C15H16BrFN6/c1-8-5-12(21-14(20-8)15(2,3)17)23-10-6-11(18-4)19-7-9(10)13(16)22-23/h5-7H,1-4H3,(H,18,19)
InChIKeyPHFXZIQRONKFHK-UHFFFAOYSA-N
MW379.24 g/mol
LogP3.53
Rot. Bonds3

About 3-bromo-1-[2-(2-fluoropropan-2-yl)-6-methylpyrimidin-4-yl]-N-methylpyrazolo[4,3-c]pyridin-6-amine

3-bromo-1-[2-(2-fluoropropan-2-yl)-6-methylpyrimidin-4-yl]-N-methylpyrazolo[4,3-c]pyridin-6-amine (PubChem CID 170577783) has the molecular formula C15H16BrFN6 and a molecular weight of 379.24 g/mol. Its IUPAC name is 3-bromo-1-[2-(2-fluoropropan-2-yl)-6-methylpyrimidin-4-yl]-N-methylpyrazolo[4,3-c]pyridin-6-amine.

Molecular Properties

Compound Name3-bromo-1-[2-(2-fluoropropan-2-yl)-6-methylpyrimidin-4-yl]-N-methylpyrazolo[4,3-c]pyridin-6-amine
PubChem CID170577783
Molecular FormulaC15H16BrFN6
Molecular Weight379.24 g/mol
Exact Mass378.06
IUPAC Name3-bromo-1-[2-(2-fluoropropan-2-yl)-6-methylpyrimidin-4-yl]-N-methylpyrazolo[4,3-c]pyridin-6-amine
SMILESCNc1cc2c(cn1)c(Br)nn2-c1cc(C)nc(C(C)(C)F)n1
InChIInChI=1S/C15H16BrFN6/c1-8-5-12(21-14(20-8)15(2,3)17)23-10-6-11(18-4)19-7-9(10)13(16)22-23/h5-7H,1-4H3,(H,18,19)
InChIKeyPHFXZIQRONKFHK-UHFFFAOYSA-N
XLogP3.53
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.24
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-[2-(2-fluoropropan-2-yl)-6-methylpyrimidin-4-yl]-N-methylpyrazolo[4,3-c]pyridin-6-amine?
The IUPAC name of 3-bromo-1-[2-(2-fluoropropan-2-yl)-6-methylpyrimidin-4-yl]-N-methylpyrazolo[4,3-c]pyridin-6-amine (CID 170577783) is 3-bromo-1-[2-(2-fluoropropan-2-yl)-6-methylpyrimidin-4-yl]-N-methylpyrazolo[4,3-c]pyridin-6-amine.
What is the SMILES notation for 3-bromo-1-[2-(2-fluoropropan-2-yl)-6-methylpyrimidin-4-yl]-N-methylpyrazolo[4,3-c]pyridin-6-amine?
The canonical SMILES for 3-bromo-1-[2-(2-fluoropropan-2-yl)-6-methylpyrimidin-4-yl]-N-methylpyrazolo[4,3-c]pyridin-6-amine is CNc1cc2c(cn1)c(Br)nn2-c1cc(C)nc(C(C)(C)F)n1.
What is the InChIKey of 3-bromo-1-[2-(2-fluoropropan-2-yl)-6-methylpyrimidin-4-yl]-N-methylpyrazolo[4,3-c]pyridin-6-amine?
The InChIKey is PHFXZIQRONKFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrFN6/c1-8-5-12(21-14(20-8)15(2,3)17)23-10-6-11(18-4)19-7-9(10)13(16)22-23/h5-7H,1-4H3,(H,18,19).
What are the key properties of 3-bromo-1-[2-(2-fluoropropan-2-yl)-6-methylpyrimidin-4-yl]-N-methylpyrazolo[4,3-c]pyridin-6-amine?
3-bromo-1-[2-(2-fluoropropan-2-yl)-6-methylpyrimidin-4-yl]-N-methylpyrazolo[4,3-c]pyridin-6-amine has a molecular weight of 379.24 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-[2-(2-fluoropropan-2-yl)-6-methylpyrimidin-4-yl]-N-methylpyrazolo[4,3-c]pyridin-6-amine is sourced from PubChem (CID 170577783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).