1-[4-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-2-(5-fluoro-2-pyridinyl)ethanone

C18H22FN5O2 — CID 131683763

IUPAC1-[4-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-2-(5-fluoro-2-pyridinyl)ethanone
SMILESCn1nnc2c1CCN(C(=O)Cc1ccc(F)cn1)C2COCC1CC1
InChIInChI=1S/C18H22FN5O2/c1-23-15-6-7-24(17(25)8-14-5-4-13(19)9-20-14)16(18(15)21-22-23)11-26-10-12-2-3-12/h4-5,9,12,16H,2-3,6-8,10-11H2,1H3
InChIKeyVUPZQNLXJLLIQO-UHFFFAOYSA-N
MW359.41 g/mol
LogP1.44
Rot. Bonds6

About 1-[4-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-2-(5-fluoro-2-pyridinyl)ethanone

1-[4-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-2-(5-fluoro-2-pyridinyl)ethanone (PubChem CID 131683763) has the molecular formula C18H22FN5O2 and a molecular weight of 359.41 g/mol. Its IUPAC name is 1-[4-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-2-(5-fluoro-2-pyridinyl)ethanone.

Molecular Properties

Compound Name1-[4-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-2-(5-fluoro-2-pyridinyl)ethanone
PubChem CID131683763
Molecular FormulaC18H22FN5O2
Molecular Weight359.41 g/mol
Exact Mass359.18
IUPAC Name1-[4-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-2-(5-fluoro-2-pyridinyl)ethanone
SMILESCn1nnc2c1CCN(C(=O)Cc1ccc(F)cn1)C2COCC1CC1
InChIInChI=1S/C18H22FN5O2/c1-23-15-6-7-24(17(25)8-14-5-4-13(19)9-20-14)16(18(15)21-22-23)11-26-10-12-2-3-12/h4-5,9,12,16H,2-3,6-8,10-11H2,1H3
InChIKeyVUPZQNLXJLLIQO-UHFFFAOYSA-N
XLogP1.44
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(cyclopropylmethyl)-4-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-(1-methylpyrrol-2-yl)methanone
CID 118739256
1-[7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-2-pyridin-2-ylethanone
CID 118739496
1-[1-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-2-pyridin-2-ylethanone
CID 118739575
1-[4-(methoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-2-pyridin-2-ylethanone
CID 118740724
1-[4-(ethoxymethyl)-1-ethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-pyridin-2-ylethanone
CID 118741007
1-[7-(ethoxymethyl)-1-ethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-2-pyridin-2-ylethanone
CID 118741020
1-[2-(cyclopropylmethyl)-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-pyridin-2-ylethanone
CID 118741091
1-[7-(ethoxymethyl)-2-ethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-pyridin-2-ylethanone
CID 118741101
1-[7-(ethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-pyridin-2-ylethanone
CID 118741102
1-[7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-2-pyridin-2-ylethanone
CID 118745993
1-[4-(cyclopropylmethoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-pyridin-2-ylethanone
CID 118746757
1-[1-ethyl-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-pyridin-2-ylethanone
CID 118746759

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-2-(5-fluoro-2-pyridinyl)ethanone?
The IUPAC name of 1-[4-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-2-(5-fluoro-2-pyridinyl)ethanone (CID 131683763) is 1-[4-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-2-(5-fluoro-2-pyridinyl)ethanone.
What is the SMILES notation for 1-[4-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-2-(5-fluoro-2-pyridinyl)ethanone?
The canonical SMILES for 1-[4-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-2-(5-fluoro-2-pyridinyl)ethanone is Cn1nnc2c1CCN(C(=O)Cc1ccc(F)cn1)C2COCC1CC1.
What is the InChIKey of 1-[4-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-2-(5-fluoro-2-pyridinyl)ethanone?
The InChIKey is VUPZQNLXJLLIQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN5O2/c1-23-15-6-7-24(17(25)8-14-5-4-13(19)9-20-14)16(18(15)21-22-23)11-26-10-12-2-3-12/h4-5,9,12,16H,2-3,6-8,10-11H2,1H3.
What are the key properties of 1-[4-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-2-(5-fluoro-2-pyridinyl)ethanone?
1-[4-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-2-(5-fluoro-2-pyridinyl)ethanone has a molecular weight of 359.41 g/mol, XLogP of 1.44, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-2-(5-fluoro-2-pyridinyl)ethanone is sourced from PubChem (CID 131683763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).