(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-[(5S,7R)-2-(2-methoxyethyl)-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone

C17H24FN3O3 — CID 146076396

IUPAC(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-[(5S,7R)-2-(2-methoxyethyl)-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone
SMILESCOCCn1nc2c(c1C(=O)N1CCC=C(F)C1)C[C@H](C)O[C@@H]2C
InChIInChI=1S/C17H24FN3O3/c1-11-9-14-15(12(2)24-11)19-21(7-8-23-3)16(14)17(22)20-6-4-5-13(18)10-20/h5,11-12H,4,6-10H2,1-3H3/t11-,12+/m0/s1
InChIKeyGWTJFWXLGUMSKF-NWDGAFQWSA-N
MW337.40 g/mol
LogP2.25
Rot. Bonds4

About (5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-[(5S,7R)-2-(2-methoxyethyl)-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone

(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-[(5S,7R)-2-(2-methoxyethyl)-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone (PubChem CID 146076396) has the molecular formula C17H24FN3O3 and a molecular weight of 337.40 g/mol. Its IUPAC name is (5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-[(5S,7R)-2-(2-methoxyethyl)-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone.

Molecular Properties

Compound Name(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-[(5S,7R)-2-(2-methoxyethyl)-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone
PubChem CID146076396
Molecular FormulaC17H24FN3O3
Molecular Weight337.40 g/mol
Exact Mass337.18
IUPAC Name(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-[(5S,7R)-2-(2-methoxyethyl)-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone
SMILESCOCCn1nc2c(c1C(=O)N1CCC=C(F)C1)C[C@H](C)O[C@@H]2C
InChIInChI=1S/C17H24FN3O3/c1-11-9-14-15(12(2)24-11)19-21(7-8-23-3)16(14)17(22)20-6-4-5-13(18)10-20/h5,11-12H,4,6-10H2,1-3H3/t11-,12+/m0/s1
InChIKeyGWTJFWXLGUMSKF-NWDGAFQWSA-N
XLogP2.25
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-[(5S,7R)-2-(2-methoxyethyl)-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-[(5S,7R)-2-(2-methoxyethyl)-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone?
The IUPAC name of (5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-[(5S,7R)-2-(2-methoxyethyl)-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone (CID 146076396) is (5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-[(5S,7R)-2-(2-methoxyethyl)-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone.
What is the SMILES notation for (5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-[(5S,7R)-2-(2-methoxyethyl)-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone?
The canonical SMILES for (5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-[(5S,7R)-2-(2-methoxyethyl)-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone is COCCn1nc2c(c1C(=O)N1CCC=C(F)C1)C[C@H](C)O[C@@H]2C.
What is the InChIKey of (5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-[(5S,7R)-2-(2-methoxyethyl)-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone?
The InChIKey is GWTJFWXLGUMSKF-NWDGAFQWSA-N. The full InChI is InChI=1S/C17H24FN3O3/c1-11-9-14-15(12(2)24-11)19-21(7-8-23-3)16(14)17(22)20-6-4-5-13(18)10-20/h5,11-12H,4,6-10H2,1-3H3/t11-,12+/m0/s1.
What are the key properties of (5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-[(5S,7R)-2-(2-methoxyethyl)-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone?
(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-[(5S,7R)-2-(2-methoxyethyl)-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone has a molecular weight of 337.40 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-[(5S,7R)-2-(2-methoxyethyl)-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone is sourced from PubChem (CID 146076396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).