(3,3-difluorocyclobutyl)-[2-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone

C15H21F2N3O2 — CID 131682023

IUPAC(3,3-difluorocyclobutyl)-[2-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone
SMILESCCn1cc2c(n1)C(COC)CN(C(=O)C1CC(F)(F)C1)C2
InChIInChI=1S/C15H21F2N3O2/c1-3-20-8-11-6-19(7-12(9-22-2)13(11)18-20)14(21)10-4-15(16,17)5-10/h8,10,12H,3-7,9H2,1-2H3
InChIKeySUYBHRDLSLAHAT-UHFFFAOYSA-N
MW313.35 g/mol
LogP2.02
Rot. Bonds4

About (3,3-difluorocyclobutyl)-[2-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone

(3,3-difluorocyclobutyl)-[2-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone (PubChem CID 131682023) has the molecular formula C15H21F2N3O2 and a molecular weight of 313.35 g/mol. Its IUPAC name is (3,3-difluorocyclobutyl)-[2-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name(3,3-difluorocyclobutyl)-[2-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone
PubChem CID131682023
Molecular FormulaC15H21F2N3O2
Molecular Weight313.35 g/mol
Exact Mass313.16
IUPAC Name(3,3-difluorocyclobutyl)-[2-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone
SMILESCCn1cc2c(n1)C(COC)CN(C(=O)C1CC(F)(F)C1)C2
InChIInChI=1S/C15H21F2N3O2/c1-3-20-8-11-6-19(7-12(9-22-2)13(11)18-20)14(21)10-4-15(16,17)5-10/h8,10,12H,3-7,9H2,1-2H3
InChIKeySUYBHRDLSLAHAT-UHFFFAOYSA-N
XLogP2.02
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3,3-difluorocyclobutyl)-[2-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4,5-dimethylthiophen-2-yl)-[(7R)-2-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone
CID 97468201
(4,5-dimethylthiophen-2-yl)-[2-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone
CID 131657775
[2-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-pyrimidin-4-ylmethanone
CID 134070162
1-[(7R)-2-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-phenoxypropan-1-one
CID 97468203
2-ethyl-7-(methoxymethyl)-5-[(1-methylpyrazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 131663852
2-methoxy-1-[7-(methoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 155875901
[2-(cyclopropylmethyl)-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 134073737
2-[[2-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid)
CID 155828623
(7S)-2-ethyl-7-(methoxymethyl)-5-(oxan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 97382547
(2-ethyl-5-methylpyrazol-3-yl)-[(7R)-7-(methoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone
CID 97368174
cyclopropyl-[7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]methanone
CID 131656652
2-ethyl-4-(methoxymethyl)-N,N-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carboxamide
CID 131660450

Frequently Asked Questions

What is the IUPAC name of (3,3-difluorocyclobutyl)-[2-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone?
The IUPAC name of (3,3-difluorocyclobutyl)-[2-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone (CID 131682023) is (3,3-difluorocyclobutyl)-[2-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone.
What is the SMILES notation for (3,3-difluorocyclobutyl)-[2-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone?
The canonical SMILES for (3,3-difluorocyclobutyl)-[2-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone is CCn1cc2c(n1)C(COC)CN(C(=O)C1CC(F)(F)C1)C2.
What is the InChIKey of (3,3-difluorocyclobutyl)-[2-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone?
The InChIKey is SUYBHRDLSLAHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N3O2/c1-3-20-8-11-6-19(7-12(9-22-2)13(11)18-20)14(21)10-4-15(16,17)5-10/h8,10,12H,3-7,9H2,1-2H3.
What are the key properties of (3,3-difluorocyclobutyl)-[2-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone?
(3,3-difluorocyclobutyl)-[2-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone has a molecular weight of 313.35 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluorocyclobutyl)-[2-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone is sourced from PubChem (CID 131682023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).