8-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

C23H16ClF2N7 — CID 146490646

IUPAC8-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SMILESCc1cc(-c2c(-c3ccc(F)cc3)nc(N)n3nc(Cc4ncccc4F)nc23)cc(Cl)n1
InChIInChI=1S/C23H16ClF2N7/c1-12-9-14(10-18(24)29-12)20-21(13-4-6-15(25)7-5-13)31-23(27)33-22(20)30-19(32-33)11-17-16(26)3-2-8-28-17/h2-10H,11H2,1H3,(H2,27,31)
InChIKeyYQFXBDRESZPDCU-UHFFFAOYSA-N
MW463.88 g/mol
LogP4.66
Rot. Bonds4

About 8-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

8-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (PubChem CID 146490646) has the molecular formula C23H16ClF2N7 and a molecular weight of 463.88 g/mol. Its IUPAC name is 8-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.

Molecular Properties

Compound Name8-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
PubChem CID146490646
Molecular FormulaC23H16ClF2N7
Molecular Weight463.88 g/mol
Exact Mass463.11
IUPAC Name8-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SMILESCc1cc(-c2c(-c3ccc(F)cc3)nc(N)n3nc(Cc4ncccc4F)nc23)cc(Cl)n1
InChIInChI=1S/C23H16ClF2N7/c1-12-9-14(10-18(24)29-12)20-21(13-4-6-15(25)7-5-13)31-23(27)33-22(20)30-19(32-33)11-17-16(26)3-2-8-28-17/h2-10H,11H2,1H3,(H2,27,31)
InChIKeyYQFXBDRESZPDCU-UHFFFAOYSA-N
XLogP4.66
TPSA94.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.88
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 8-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The IUPAC name of 8-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (CID 146490646) is 8-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.
What is the SMILES notation for 8-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The canonical SMILES for 8-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is Cc1cc(-c2c(-c3ccc(F)cc3)nc(N)n3nc(Cc4ncccc4F)nc23)cc(Cl)n1.
What is the InChIKey of 8-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The InChIKey is YQFXBDRESZPDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClF2N7/c1-12-9-14(10-18(24)29-12)20-21(13-4-6-15(25)7-5-13)31-23(27)33-22(20)30-19(32-33)11-17-16(26)3-2-8-28-17/h2-10H,11H2,1H3,(H2,27,31).
What are the key properties of 8-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
8-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine has a molecular weight of 463.88 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is sourced from PubChem (CID 146490646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).