N-[(2-fluoro-6-methoxyphenyl)methyl]-8-[2-[fluoro(phosphanyl)methyl]-5-methyl-4-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine

C21H20F2N5OP — CID 146514482

IUPACN-[(2-fluoro-6-methoxyphenyl)methyl]-8-[2-[fluoro(phosphanyl)methyl]-5-methyl-4-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine
SMILESCOc1cccc(F)c1CNc1ccc(-c2cc(C(F)P)ncc2C)c2nncn12
InChIInChI=1S/C21H20F2N5OP/c1-12-9-24-17(20(23)30)8-14(12)13-6-7-19(28-11-26-27-21(13)28)25-10-15-16(22)4-3-5-18(15)29-2/h3-9,11,20,25H,10,30H2,1-2H3
InChIKeyHSCFWMGQCQDISQ-UHFFFAOYSA-N
MW427.40 g/mol
LogP4.70
Rot. Bonds6

About N-[(2-fluoro-6-methoxyphenyl)methyl]-8-[2-[fluoro(phosphanyl)methyl]-5-methyl-4-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine

N-[(2-fluoro-6-methoxyphenyl)methyl]-8-[2-[fluoro(phosphanyl)methyl]-5-methyl-4-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine (PubChem CID 146514482) has the molecular formula C21H20F2N5OP and a molecular weight of 427.40 g/mol. Its IUPAC name is N-[(2-fluoro-6-methoxyphenyl)methyl]-8-[2-[fluoro(phosphanyl)methyl]-5-methyl-4-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine.

Molecular Properties

Compound NameN-[(2-fluoro-6-methoxyphenyl)methyl]-8-[2-[fluoro(phosphanyl)methyl]-5-methyl-4-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine
PubChem CID146514482
Molecular FormulaC21H20F2N5OP
Molecular Weight427.40 g/mol
Exact Mass427.14
IUPAC NameN-[(2-fluoro-6-methoxyphenyl)methyl]-8-[2-[fluoro(phosphanyl)methyl]-5-methyl-4-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine
SMILESCOc1cccc(F)c1CNc1ccc(-c2cc(C(F)P)ncc2C)c2nncn12
InChIInChI=1S/C21H20F2N5OP/c1-12-9-24-17(20(23)30)8-14(12)13-6-7-19(28-11-26-27-21(13)28)25-10-15-16(22)4-3-5-18(15)29-2/h3-9,11,20,25H,10,30H2,1-2H3
InChIKeyHSCFWMGQCQDISQ-UHFFFAOYSA-N
XLogP4.70
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.40
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2-fluoro-6-methoxyphenyl)methyl]-8-[2-[fluoro(phosphanyl)methyl]-5-methyl-4-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine?
The IUPAC name of N-[(2-fluoro-6-methoxyphenyl)methyl]-8-[2-[fluoro(phosphanyl)methyl]-5-methyl-4-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine (CID 146514482) is N-[(2-fluoro-6-methoxyphenyl)methyl]-8-[2-[fluoro(phosphanyl)methyl]-5-methyl-4-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine.
What is the SMILES notation for N-[(2-fluoro-6-methoxyphenyl)methyl]-8-[2-[fluoro(phosphanyl)methyl]-5-methyl-4-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine?
The canonical SMILES for N-[(2-fluoro-6-methoxyphenyl)methyl]-8-[2-[fluoro(phosphanyl)methyl]-5-methyl-4-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine is COc1cccc(F)c1CNc1ccc(-c2cc(C(F)P)ncc2C)c2nncn12.
What is the InChIKey of N-[(2-fluoro-6-methoxyphenyl)methyl]-8-[2-[fluoro(phosphanyl)methyl]-5-methyl-4-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine?
The InChIKey is HSCFWMGQCQDISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N5OP/c1-12-9-24-17(20(23)30)8-14(12)13-6-7-19(28-11-26-27-21(13)28)25-10-15-16(22)4-3-5-18(15)29-2/h3-9,11,20,25H,10,30H2,1-2H3.
What are the key properties of N-[(2-fluoro-6-methoxyphenyl)methyl]-8-[2-[fluoro(phosphanyl)methyl]-5-methyl-4-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine?
N-[(2-fluoro-6-methoxyphenyl)methyl]-8-[2-[fluoro(phosphanyl)methyl]-5-methyl-4-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine has a molecular weight of 427.40 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluoro-6-methoxyphenyl)methyl]-8-[2-[fluoro(phosphanyl)methyl]-5-methyl-4-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine is sourced from PubChem (CID 146514482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).