5-methoxy-N-pyridin-4-yl-2-[1-[(2,4,6-trifluorophenyl)methyl]indazol-3-yl]pyrimidin-4-amine

C24H17F3N6O — CID 71553533

IUPAC5-methoxy-N-pyridin-4-yl-2-[1-[(2,4,6-trifluorophenyl)methyl]indazol-3-yl]pyrimidin-4-amine
SMILESCOc1cnc(-c2nn(Cc3c(F)cc(F)cc3F)c3ccccc23)nc1Nc1ccncc1
InChIInChI=1S/C24H17F3N6O/c1-34-21-12-29-24(31-23(21)30-15-6-8-28-9-7-15)22-16-4-2-3-5-20(16)33(32-22)13-17-18(26)10-14(25)11-19(17)27/h2-12H,13H2,1H3,(H,28,29,30,31)
InChIKeyFEEVMVAILSFBJS-UHFFFAOYSA-N
MW462.44 g/mol
LogP5.11
Rot. Bonds6

About 5-methoxy-N-pyridin-4-yl-2-[1-[(2,4,6-trifluorophenyl)methyl]indazol-3-yl]pyrimidin-4-amine

5-methoxy-N-pyridin-4-yl-2-[1-[(2,4,6-trifluorophenyl)methyl]indazol-3-yl]pyrimidin-4-amine (PubChem CID 71553533) has the molecular formula C24H17F3N6O and a molecular weight of 462.44 g/mol. Its IUPAC name is 5-methoxy-N-pyridin-4-yl-2-[1-[(2,4,6-trifluorophenyl)methyl]indazol-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-methoxy-N-pyridin-4-yl-2-[1-[(2,4,6-trifluorophenyl)methyl]indazol-3-yl]pyrimidin-4-amine
PubChem CID71553533
Molecular FormulaC24H17F3N6O
Molecular Weight462.44 g/mol
Exact Mass462.14
IUPAC Name5-methoxy-N-pyridin-4-yl-2-[1-[(2,4,6-trifluorophenyl)methyl]indazol-3-yl]pyrimidin-4-amine
SMILESCOc1cnc(-c2nn(Cc3c(F)cc(F)cc3F)c3ccccc23)nc1Nc1ccncc1
InChIInChI=1S/C24H17F3N6O/c1-34-21-12-29-24(31-23(21)30-15-6-8-28-9-7-15)22-16-4-2-3-5-20(16)33(32-22)13-17-18(26)10-14(25)11-19(17)27/h2-12H,13H2,1H3,(H,28,29,30,31)
InChIKeyFEEVMVAILSFBJS-UHFFFAOYSA-N
XLogP5.11
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.44
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-pyridin-4-yl-2-[1-[(2,4,6-trifluorophenyl)methyl]indazol-3-yl]pyrimidin-4-amine?
The IUPAC name of 5-methoxy-N-pyridin-4-yl-2-[1-[(2,4,6-trifluorophenyl)methyl]indazol-3-yl]pyrimidin-4-amine (CID 71553533) is 5-methoxy-N-pyridin-4-yl-2-[1-[(2,4,6-trifluorophenyl)methyl]indazol-3-yl]pyrimidin-4-amine.
What is the SMILES notation for 5-methoxy-N-pyridin-4-yl-2-[1-[(2,4,6-trifluorophenyl)methyl]indazol-3-yl]pyrimidin-4-amine?
The canonical SMILES for 5-methoxy-N-pyridin-4-yl-2-[1-[(2,4,6-trifluorophenyl)methyl]indazol-3-yl]pyrimidin-4-amine is COc1cnc(-c2nn(Cc3c(F)cc(F)cc3F)c3ccccc23)nc1Nc1ccncc1.
What is the InChIKey of 5-methoxy-N-pyridin-4-yl-2-[1-[(2,4,6-trifluorophenyl)methyl]indazol-3-yl]pyrimidin-4-amine?
The InChIKey is FEEVMVAILSFBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F3N6O/c1-34-21-12-29-24(31-23(21)30-15-6-8-28-9-7-15)22-16-4-2-3-5-20(16)33(32-22)13-17-18(26)10-14(25)11-19(17)27/h2-12H,13H2,1H3,(H,28,29,30,31).
What are the key properties of 5-methoxy-N-pyridin-4-yl-2-[1-[(2,4,6-trifluorophenyl)methyl]indazol-3-yl]pyrimidin-4-amine?
5-methoxy-N-pyridin-4-yl-2-[1-[(2,4,6-trifluorophenyl)methyl]indazol-3-yl]pyrimidin-4-amine has a molecular weight of 462.44 g/mol, XLogP of 5.11, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-pyridin-4-yl-2-[1-[(2,4,6-trifluorophenyl)methyl]indazol-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 71553533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).