[2-(cyclopropylmethyl)-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(5-methyl-1,2-oxazol-3-yl)methanone

C17H22N4O3 — CID 134073737

IUPAC[2-(cyclopropylmethyl)-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
SMILESCOCC1CN(C(=O)c2cc(C)on2)Cc2cn(CC3CC3)nc21
InChIInChI=1S/C17H22N4O3/c1-11-5-15(19-24-11)17(22)20-7-13-9-21(6-12-3-4-12)18-16(13)14(8-20)10-23-2/h5,9,12,14H,3-4,6-8,10H2,1-2H3
InChIKeySNTQUZBDXVQCSY-UHFFFAOYSA-N
MW330.39 g/mol
LogP1.98
Rot. Bonds5

About [2-(cyclopropylmethyl)-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(5-methyl-1,2-oxazol-3-yl)methanone

[2-(cyclopropylmethyl)-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(5-methyl-1,2-oxazol-3-yl)methanone (PubChem CID 134073737) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is [2-(cyclopropylmethyl)-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(5-methyl-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name[2-(cyclopropylmethyl)-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
PubChem CID134073737
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name[2-(cyclopropylmethyl)-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
SMILESCOCC1CN(C(=O)c2cc(C)on2)Cc2cn(CC3CC3)nc21
InChIInChI=1S/C17H22N4O3/c1-11-5-15(19-24-11)17(22)20-7-13-9-21(6-12-3-4-12)18-16(13)14(8-20)10-23-2/h5,9,12,14H,3-4,6-8,10H2,1-2H3
InChIKeySNTQUZBDXVQCSY-UHFFFAOYSA-N
XLogP1.98
TPSA73.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2-(cyclopropylmethyl)-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(5-methyl-1,2-oxazol-3-yl)methanone with MolForge

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Related Compounds

[2-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-pyrimidin-4-ylmethanone
CID 134070162
(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-(cyclopropylmethyl)-7-(ethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-thiophen-3-ylmethanone
CID 131654858
(3,3-difluorocyclobutyl)-[2-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone
CID 131682023
(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
2-(cyclopentylmethyl)-7-(methoxymethyl)-5-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 131663369
2-methoxy-1-[7-(methoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 155875901
(7R)-2-(cyclopentylmethyl)-5-(furan-3-ylmethyl)-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 97382628
[1-(cyclopropylmethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 97469010
2-(cyclopropylmethyl)-7-(ethoxymethyl)-5-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 131650589
1-[(7R)-2-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-phenoxypropan-1-one
CID 97468203

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylmethyl)-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
The IUPAC name of [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) is [2-(cyclopropylmethyl)-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(5-methyl-1,2-oxazol-3-yl)methanone.
What is the SMILES notation for [2-(cyclopropylmethyl)-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
The canonical SMILES for [2-(cyclopropylmethyl)-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(5-methyl-1,2-oxazol-3-yl)methanone is COCC1CN(C(=O)c2cc(C)on2)Cc2cn(CC3CC3)nc21.
What is the InChIKey of [2-(cyclopropylmethyl)-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
The InChIKey is SNTQUZBDXVQCSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-11-5-15(19-24-11)17(22)20-7-13-9-21(6-12-3-4-12)18-16(13)14(8-20)10-23-2/h5,9,12,14H,3-4,6-8,10H2,1-2H3.
What are the key properties of [2-(cyclopropylmethyl)-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
[2-(cyclopropylmethyl)-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(5-methyl-1,2-oxazol-3-yl)methanone has a molecular weight of 330.39 g/mol, XLogP of 1.98, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylmethyl)-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(5-methyl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 134073737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).