cyclopenten-1-yl-[7-(methoxymethyl)-1-(oxan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]methanone

C20H29N3O3 — CID 131649734

IUPACcyclopenten-1-yl-[7-(methoxymethyl)-1-(oxan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]methanone
SMILESCOCC1CN(C(=O)C2=CCCC2)Cc2cnn(CC3CCOCC3)c21
InChIInChI=1S/C20H29N3O3/c1-25-14-18-13-22(20(24)16-4-2-3-5-16)12-17-10-21-23(19(17)18)11-15-6-8-26-9-7-15/h4,10,15,18H,2-3,5-9,11-14H2,1H3
InChIKeyWFJOURQSDFDDLE-UHFFFAOYSA-N
MW359.47 g/mol
LogP2.49
Rot. Bonds5

About cyclopenten-1-yl-[7-(methoxymethyl)-1-(oxan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]methanone

cyclopenten-1-yl-[7-(methoxymethyl)-1-(oxan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]methanone (PubChem CID 131649734) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is cyclopenten-1-yl-[7-(methoxymethyl)-1-(oxan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Namecyclopenten-1-yl-[7-(methoxymethyl)-1-(oxan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]methanone
PubChem CID131649734
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Namecyclopenten-1-yl-[7-(methoxymethyl)-1-(oxan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]methanone
SMILESCOCC1CN(C(=O)C2=CCCC2)Cc2cnn(CC3CCOCC3)c21
InChIInChI=1S/C20H29N3O3/c1-25-14-18-13-22(20(24)16-4-2-3-5-16)12-17-10-21-23(19(17)18)11-15-6-8-26-9-7-15/h4,10,15,18H,2-3,5-9,11-14H2,1H3
InChIKeyWFJOURQSDFDDLE-UHFFFAOYSA-N
XLogP2.49
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

cyclopenten-1-yl-[(7R)-1-(cyclopentylmethyl)-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]methanone
CID 97468553
2-methoxy-1-[7-(methoxymethyl)-1-(oxan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]ethanone
CID 131644403
7-(ethoxymethyl)-N,N-dimethyl-1-(oxan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxamide
CID 134070183
[(7R)-1-(cyclopropylmethyl)-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-thiophen-3-ylmethanone
CID 97468491
cyclopenten-1-yl-[1-methyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone;2,2,2-trifluoroacetic acid
CID 155862257
[1-(cyclopropylmethyl)-7-(ethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyrazin-2-ylmethanone
CID 118745142
[1-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-(furan-3-yl)methanone
CID 131659554
[(7S)-1-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-(furan-2-yl)methanone
CID 97382796
[(7R)-1-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-(furan-2-yl)methanone
CID 97382797
cyclopenten-1-yl-[(7R)-7-(cyclopropylmethoxymethyl)-1-(cyclopropylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone
CID 97368628
[(7R)-1-(cyclopropylmethyl)-7-(ethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-(1-methylpyrrol-2-yl)methanone
CID 97468515
[1-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-(1-methylpyrrol-2-yl)methanone
CID 155900749

Frequently Asked Questions

What is the IUPAC name of cyclopenten-1-yl-[7-(methoxymethyl)-1-(oxan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]methanone?
The IUPAC name of cyclopenten-1-yl-[7-(methoxymethyl)-1-(oxan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]methanone (CID 131649734) is cyclopenten-1-yl-[7-(methoxymethyl)-1-(oxan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]methanone.
What is the SMILES notation for cyclopenten-1-yl-[7-(methoxymethyl)-1-(oxan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]methanone?
The canonical SMILES for cyclopenten-1-yl-[7-(methoxymethyl)-1-(oxan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]methanone is COCC1CN(C(=O)C2=CCCC2)Cc2cnn(CC3CCOCC3)c21.
What is the InChIKey of cyclopenten-1-yl-[7-(methoxymethyl)-1-(oxan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]methanone?
The InChIKey is WFJOURQSDFDDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-25-14-18-13-22(20(24)16-4-2-3-5-16)12-17-10-21-23(19(17)18)11-15-6-8-26-9-7-15/h4,10,15,18H,2-3,5-9,11-14H2,1H3.
What are the key properties of cyclopenten-1-yl-[7-(methoxymethyl)-1-(oxan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]methanone?
cyclopenten-1-yl-[7-(methoxymethyl)-1-(oxan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]methanone has a molecular weight of 359.47 g/mol, XLogP of 2.49, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenten-1-yl-[7-(methoxymethyl)-1-(oxan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]methanone is sourced from PubChem (CID 131649734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).