2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-5-methoxy-N-pyridin-4-ylpyrimidin-4-amine

C24H19FN6O — CID 71553617

IUPAC2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-5-methoxy-N-pyridin-4-ylpyrimidin-4-amine
SMILESCOc1cnc(-c2nn(Cc3ccccc3F)c3ccccc23)nc1Nc1ccncc1
InChIInChI=1S/C24H19FN6O/c1-32-21-14-27-24(29-23(21)28-17-10-12-26-13-11-17)22-18-7-3-5-9-20(18)31(30-22)15-16-6-2-4-8-19(16)25/h2-14H,15H2,1H3,(H,26,27,28,29)
InChIKeyWXZBIHKYDPLPOR-UHFFFAOYSA-N
MW426.46 g/mol
LogP4.83
Rot. Bonds6

About 2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-5-methoxy-N-pyridin-4-ylpyrimidin-4-amine

2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-5-methoxy-N-pyridin-4-ylpyrimidin-4-amine (PubChem CID 71553617) has the molecular formula C24H19FN6O and a molecular weight of 426.46 g/mol. Its IUPAC name is 2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-5-methoxy-N-pyridin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-5-methoxy-N-pyridin-4-ylpyrimidin-4-amine
PubChem CID71553617
Molecular FormulaC24H19FN6O
Molecular Weight426.46 g/mol
Exact Mass426.16
IUPAC Name2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-5-methoxy-N-pyridin-4-ylpyrimidin-4-amine
SMILESCOc1cnc(-c2nn(Cc3ccccc3F)c3ccccc23)nc1Nc1ccncc1
InChIInChI=1S/C24H19FN6O/c1-32-21-14-27-24(29-23(21)28-17-10-12-26-13-11-17)22-18-7-3-5-9-20(18)31(30-22)15-16-6-2-4-8-19(16)25/h2-14H,15H2,1H3,(H,26,27,28,29)
InChIKeyWXZBIHKYDPLPOR-UHFFFAOYSA-N
XLogP4.83
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.46
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-5-methoxy-N-pyridin-4-ylpyrimidin-4-amine?
The IUPAC name of 2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-5-methoxy-N-pyridin-4-ylpyrimidin-4-amine (CID 71553617) is 2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-5-methoxy-N-pyridin-4-ylpyrimidin-4-amine.
What is the SMILES notation for 2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-5-methoxy-N-pyridin-4-ylpyrimidin-4-amine?
The canonical SMILES for 2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-5-methoxy-N-pyridin-4-ylpyrimidin-4-amine is COc1cnc(-c2nn(Cc3ccccc3F)c3ccccc23)nc1Nc1ccncc1.
What is the InChIKey of 2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-5-methoxy-N-pyridin-4-ylpyrimidin-4-amine?
The InChIKey is WXZBIHKYDPLPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN6O/c1-32-21-14-27-24(29-23(21)28-17-10-12-26-13-11-17)22-18-7-3-5-9-20(18)31(30-22)15-16-6-2-4-8-19(16)25/h2-14H,15H2,1H3,(H,26,27,28,29).
What are the key properties of 2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-5-methoxy-N-pyridin-4-ylpyrimidin-4-amine?
2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-5-methoxy-N-pyridin-4-ylpyrimidin-4-amine has a molecular weight of 426.46 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-5-methoxy-N-pyridin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 71553617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).