(2-fluoro-3-methylphenyl)-[(6R)-6-methyl-1-(1H-pyrazol-5-yl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone

C17H17FN6O — CID 118893953

IUPAC(2-fluoro-3-methylphenyl)-[(6R)-6-methyl-1-(1H-pyrazol-5-yl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone
SMILESCc1cccc(C(=O)N2Cc3nnn(-c4ccn[nH]4)c3C[C@H]2C)c1F
InChIInChI=1S/C17H17FN6O/c1-10-4-3-5-12(16(10)18)17(25)23-9-13-14(8-11(23)2)24(22-20-13)15-6-7-19-21-15/h3-7,11H,8-9H2,1-2H3,(H,19,21)/t11-/m1/s1
InChIKeyNTTFVKKSFUQWEP-LLVKDONJSA-N
MW340.36 g/mol
LogP2.02
Rot. Bonds2

About (2-fluoro-3-methylphenyl)-[(6R)-6-methyl-1-(1H-pyrazol-5-yl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone

(2-fluoro-3-methylphenyl)-[(6R)-6-methyl-1-(1H-pyrazol-5-yl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone (PubChem CID 118893953) has the molecular formula C17H17FN6O and a molecular weight of 340.36 g/mol. Its IUPAC name is (2-fluoro-3-methylphenyl)-[(6R)-6-methyl-1-(1H-pyrazol-5-yl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name(2-fluoro-3-methylphenyl)-[(6R)-6-methyl-1-(1H-pyrazol-5-yl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone
PubChem CID118893953
Molecular FormulaC17H17FN6O
Molecular Weight340.36 g/mol
Exact Mass340.14
IUPAC Name(2-fluoro-3-methylphenyl)-[(6R)-6-methyl-1-(1H-pyrazol-5-yl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone
SMILESCc1cccc(C(=O)N2Cc3nnn(-c4ccn[nH]4)c3C[C@H]2C)c1F
InChIInChI=1S/C17H17FN6O/c1-10-4-3-5-12(16(10)18)17(25)23-9-13-14(8-11(23)2)24(22-20-13)15-6-7-19-21-15/h3-7,11H,8-9H2,1-2H3,(H,19,21)/t11-/m1/s1
InChIKeyNTTFVKKSFUQWEP-LLVKDONJSA-N
XLogP2.02
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-fluoro-3-methylphenyl)-[(6R)-6-methyl-1-(1H-pyrazol-5-yl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone?
The IUPAC name of (2-fluoro-3-methylphenyl)-[(6R)-6-methyl-1-(1H-pyrazol-5-yl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone (CID 118893953) is (2-fluoro-3-methylphenyl)-[(6R)-6-methyl-1-(1H-pyrazol-5-yl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone.
What is the SMILES notation for (2-fluoro-3-methylphenyl)-[(6R)-6-methyl-1-(1H-pyrazol-5-yl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone?
The canonical SMILES for (2-fluoro-3-methylphenyl)-[(6R)-6-methyl-1-(1H-pyrazol-5-yl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone is Cc1cccc(C(=O)N2Cc3nnn(-c4ccn[nH]4)c3C[C@H]2C)c1F.
What is the InChIKey of (2-fluoro-3-methylphenyl)-[(6R)-6-methyl-1-(1H-pyrazol-5-yl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone?
The InChIKey is NTTFVKKSFUQWEP-LLVKDONJSA-N. The full InChI is InChI=1S/C17H17FN6O/c1-10-4-3-5-12(16(10)18)17(25)23-9-13-14(8-11(23)2)24(22-20-13)15-6-7-19-21-15/h3-7,11H,8-9H2,1-2H3,(H,19,21)/t11-/m1/s1.
What are the key properties of (2-fluoro-3-methylphenyl)-[(6R)-6-methyl-1-(1H-pyrazol-5-yl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone?
(2-fluoro-3-methylphenyl)-[(6R)-6-methyl-1-(1H-pyrazol-5-yl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone has a molecular weight of 340.36 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-3-methylphenyl)-[(6R)-6-methyl-1-(1H-pyrazol-5-yl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone is sourced from PubChem (CID 118893953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).