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

C19H24FN5O2 — CID 131683660

IUPAC1-[4-(cyclopropylmethoxymethyl)-1-ethyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-2-(5-fluoro-2-pyridinyl)ethanone
SMILESCCn1nnc2c1CCN(C(=O)Cc1ccc(F)cn1)C2COCC1CC1
InChIInChI=1S/C19H24FN5O2/c1-2-25-16-7-8-24(18(26)9-15-6-5-14(20)10-21-15)17(19(16)22-23-25)12-27-11-13-3-4-13/h5-6,10,13,17H,2-4,7-9,11-12H2,1H3
InChIKeyHGCPOUBVIONCDJ-UHFFFAOYSA-N
MW373.43 g/mol
LogP1.93
Rot. Bonds7

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

1-[4-(cyclopropylmethoxymethyl)-1-ethyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-2-(5-fluoro-2-pyridinyl)ethanone (PubChem CID 131683660) has the molecular formula C19H24FN5O2 and a molecular weight of 373.43 g/mol. Its IUPAC name is 1-[4-(cyclopropylmethoxymethyl)-1-ethyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-2-(5-fluoro-2-pyridinyl)ethanone.

Molecular Properties

Compound Name1-[4-(cyclopropylmethoxymethyl)-1-ethyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-2-(5-fluoro-2-pyridinyl)ethanone
PubChem CID131683660
Molecular FormulaC19H24FN5O2
Molecular Weight373.43 g/mol
Exact Mass373.19
IUPAC Name1-[4-(cyclopropylmethoxymethyl)-1-ethyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-2-(5-fluoro-2-pyridinyl)ethanone
SMILESCCn1nnc2c1CCN(C(=O)Cc1ccc(F)cn1)C2COCC1CC1
InChIInChI=1S/C19H24FN5O2/c1-2-25-16-7-8-24(18(26)9-15-6-5-14(20)10-21-15)17(19(16)22-23-25)12-27-11-13-3-4-13/h5-6,10,13,17H,2-4,7-9,11-12H2,1H3
InChIKeyHGCPOUBVIONCDJ-UHFFFAOYSA-N
XLogP1.93
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclopropylmethoxymethyl)-1-ethyl-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-ethyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-2-(5-fluoro-2-pyridinyl)ethanone (CID 131683660) is 1-[4-(cyclopropylmethoxymethyl)-1-ethyl-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-ethyl-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-ethyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-2-(5-fluoro-2-pyridinyl)ethanone is CCn1nnc2c1CCN(C(=O)Cc1ccc(F)cn1)C2COCC1CC1.
What is the InChIKey of 1-[4-(cyclopropylmethoxymethyl)-1-ethyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-2-(5-fluoro-2-pyridinyl)ethanone?
The InChIKey is HGCPOUBVIONCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN5O2/c1-2-25-16-7-8-24(18(26)9-15-6-5-14(20)10-21-15)17(19(16)22-23-25)12-27-11-13-3-4-13/h5-6,10,13,17H,2-4,7-9,11-12H2,1H3.
What are the key properties of 1-[4-(cyclopropylmethoxymethyl)-1-ethyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-2-(5-fluoro-2-pyridinyl)ethanone?
1-[4-(cyclopropylmethoxymethyl)-1-ethyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-2-(5-fluoro-2-pyridinyl)ethanone has a molecular weight of 373.43 g/mol, XLogP of 1.93, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclopropylmethoxymethyl)-1-ethyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-2-(5-fluoro-2-pyridinyl)ethanone is sourced from PubChem (CID 131683660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).