[3-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(3,3-difluorocyclobutyl)methanone

C17H23F2N3O2 — CID 131696889

IUPAC[3-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(3,3-difluorocyclobutyl)methanone
SMILESCn1nc(COCC2CC2)c2c1CCN(C(=O)C1CC(F)(F)C1)C2
InChIInChI=1S/C17H23F2N3O2/c1-21-15-4-5-22(16(23)12-6-17(18,19)7-12)8-13(15)14(20-21)10-24-9-11-2-3-11/h11-12H,2-10H2,1H3
InChIKeyAPSZDURZIUCNHO-UHFFFAOYSA-N
MW339.39 g/mol
LogP2.28
Rot. Bonds5

About [3-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(3,3-difluorocyclobutyl)methanone

[3-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(3,3-difluorocyclobutyl)methanone (PubChem CID 131696889) has the molecular formula C17H23F2N3O2 and a molecular weight of 339.39 g/mol. Its IUPAC name is [3-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(3,3-difluorocyclobutyl)methanone.

Molecular Properties

Compound Name[3-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(3,3-difluorocyclobutyl)methanone
PubChem CID131696889
Molecular FormulaC17H23F2N3O2
Molecular Weight339.39 g/mol
Exact Mass339.18
IUPAC Name[3-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(3,3-difluorocyclobutyl)methanone
SMILESCn1nc(COCC2CC2)c2c1CCN(C(=O)C1CC(F)(F)C1)C2
InChIInChI=1S/C17H23F2N3O2/c1-21-15-4-5-22(16(23)12-6-17(18,19)7-12)8-13(15)14(20-21)10-24-9-11-2-3-11/h11-12H,2-10H2,1H3
InChIKeyAPSZDURZIUCNHO-UHFFFAOYSA-N
XLogP2.28
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [3-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(3,3-difluorocyclobutyl)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

1-[3-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-(1-hydroxycyclobutyl)ethanone;oxalic acid
CID 155870176
1-[3-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-(1H-pyrrol-2-yl)propan-1-one;oxalic acid
CID 155870492
3-(cyclopropylmethoxymethyl)-1-methyl-5-pyrazin-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 97405725
3-(cyclopropylmethoxymethyl)-5-(furan-2-ylmethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;2,2,2-trifluoroacetic acid
CID 118742264
[3-(methoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]methanone
CID 131696202
3-(cyclopropylmethoxymethyl)-5-(furan-2-ylmethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 97405724
1-[5-(cyclobutanecarbonyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]-N-ethylpiperidine-4-carboxamide
CID 50831077
[3-[(4-chlorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(2-fluorophenyl)methanone
CID 50832791
(4-bromophenyl)-[1-methyl-3-[(4-methylphenyl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone
CID 50832610
(3S)-1-[5-(cyclobutanecarbonyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]-N,N-diethylpiperidine-3-carboxamide
CID 95052867
3-(cyclopropylmethoxymethyl)-1-methyl-6-[(5-methylthiophen-2-yl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;2,2,2-trifluoroacetic acid
CID 118744333
3-[(3,5-difluorophenoxy)methyl]-1-methyl-N-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
CID 155551908

Frequently Asked Questions

What is the IUPAC name of [3-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(3,3-difluorocyclobutyl)methanone?
The IUPAC name of [3-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(3,3-difluorocyclobutyl)methanone (CID 131696889) is [3-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(3,3-difluorocyclobutyl)methanone.
What is the SMILES notation for [3-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(3,3-difluorocyclobutyl)methanone?
The canonical SMILES for [3-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(3,3-difluorocyclobutyl)methanone is Cn1nc(COCC2CC2)c2c1CCN(C(=O)C1CC(F)(F)C1)C2.
What is the InChIKey of [3-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(3,3-difluorocyclobutyl)methanone?
The InChIKey is APSZDURZIUCNHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F2N3O2/c1-21-15-4-5-22(16(23)12-6-17(18,19)7-12)8-13(15)14(20-21)10-24-9-11-2-3-11/h11-12H,2-10H2,1H3.
What are the key properties of [3-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(3,3-difluorocyclobutyl)methanone?
[3-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(3,3-difluorocyclobutyl)methanone has a molecular weight of 339.39 g/mol, XLogP of 2.28, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(3,3-difluorocyclobutyl)methanone is sourced from PubChem (CID 131696889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).