cyclopropyl-[6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-3-pyridinyl]methanone

C25H24FN7O2 — CID 155279449

IUPACcyclopropyl-[6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-3-pyridinyl]methanone
SMILESCOc1c(Nc2cc(Nc3cc(C)c(F)cn3)ncc2C(=O)C2CC2)cccc1-c1ncn(C)n1
InChIInChI=1S/C25H24FN7O2/c1-14-9-21(28-12-18(14)26)31-22-10-20(17(11-27-22)23(34)15-7-8-15)30-19-6-4-5-16(24(19)35-3)25-29-13-33(2)32-25/h4-6,9-13,15H,7-8H2,1-3H3,(H2,27,28,30,31)
InChIKeyTXTVZOQENIMDBI-UHFFFAOYSA-N
MW473.51 g/mol
LogP4.81
Rot. Bonds8

About cyclopropyl-[6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-3-pyridinyl]methanone

cyclopropyl-[6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-3-pyridinyl]methanone (PubChem CID 155279449) has the molecular formula C25H24FN7O2 and a molecular weight of 473.51 g/mol. Its IUPAC name is cyclopropyl-[6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-3-pyridinyl]methanone.

Molecular Properties

Compound Namecyclopropyl-[6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-3-pyridinyl]methanone
PubChem CID155279449
Molecular FormulaC25H24FN7O2
Molecular Weight473.51 g/mol
Exact Mass473.20
IUPAC Namecyclopropyl-[6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-3-pyridinyl]methanone
SMILESCOc1c(Nc2cc(Nc3cc(C)c(F)cn3)ncc2C(=O)C2CC2)cccc1-c1ncn(C)n1
InChIInChI=1S/C25H24FN7O2/c1-14-9-21(28-12-18(14)26)31-22-10-20(17(11-27-22)23(34)15-7-8-15)30-19-6-4-5-16(24(19)35-3)25-29-13-33(2)32-25/h4-6,9-13,15H,7-8H2,1-3H3,(H2,27,28,30,31)
InChIKeyTXTVZOQENIMDBI-UHFFFAOYSA-N
XLogP4.81
TPSA106.85 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.51
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-3-pyridinyl]methanone?
The IUPAC name of cyclopropyl-[6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-3-pyridinyl]methanone (CID 155279449) is cyclopropyl-[6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-3-pyridinyl]methanone.
What is the SMILES notation for cyclopropyl-[6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-3-pyridinyl]methanone?
The canonical SMILES for cyclopropyl-[6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-3-pyridinyl]methanone is COc1c(Nc2cc(Nc3cc(C)c(F)cn3)ncc2C(=O)C2CC2)cccc1-c1ncn(C)n1.
What is the InChIKey of cyclopropyl-[6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-3-pyridinyl]methanone?
The InChIKey is TXTVZOQENIMDBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN7O2/c1-14-9-21(28-12-18(14)26)31-22-10-20(17(11-27-22)23(34)15-7-8-15)30-19-6-4-5-16(24(19)35-3)25-29-13-33(2)32-25/h4-6,9-13,15H,7-8H2,1-3H3,(H2,27,28,30,31).
What are the key properties of cyclopropyl-[6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-3-pyridinyl]methanone?
cyclopropyl-[6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-3-pyridinyl]methanone has a molecular weight of 473.51 g/mol, XLogP of 4.81, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-3-pyridinyl]methanone is sourced from PubChem (CID 155279449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).