[1-(cyclopropylmethyl)-7-(ethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyrazin-2-ylmethanone

C18H23N5O2 — CID 118745142

IUPAC[1-(cyclopropylmethyl)-7-(ethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyrazin-2-ylmethanone
SMILESCCOCC1CN(C(=O)c2cnccn2)Cc2cnn(CC3CC3)c21
InChIInChI=1S/C18H23N5O2/c1-2-25-12-15-11-22(18(24)16-8-19-5-6-20-16)10-14-7-21-23(17(14)15)9-13-3-4-13/h5-8,13,15H,2-4,9-12H2,1H3
InChIKeyGJWPTVNEOGDXSR-UHFFFAOYSA-N
MW341.42 g/mol
LogP1.86
Rot. Bonds6

About [1-(cyclopropylmethyl)-7-(ethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyrazin-2-ylmethanone

[1-(cyclopropylmethyl)-7-(ethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyrazin-2-ylmethanone (PubChem CID 118745142) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is [1-(cyclopropylmethyl)-7-(ethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[1-(cyclopropylmethyl)-7-(ethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyrazin-2-ylmethanone
PubChem CID118745142
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name[1-(cyclopropylmethyl)-7-(ethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyrazin-2-ylmethanone
SMILESCCOCC1CN(C(=O)c2cnccn2)Cc2cnn(CC3CC3)c21
InChIInChI=1S/C18H23N5O2/c1-2-25-12-15-11-22(18(24)16-8-19-5-6-20-16)10-14-7-21-23(17(14)15)9-13-3-4-13/h5-8,13,15H,2-4,9-12H2,1H3
InChIKeyGJWPTVNEOGDXSR-UHFFFAOYSA-N
XLogP1.86
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(7S)-7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyrazin-2-ylmethanone
CID 97382727
[(7R)-1-(cyclopropylmethyl)-7-(ethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-(1-methylpyrrol-2-yl)methanone
CID 97468515
1-[(7S)-1-(cyclopropylmethyl)-7-(ethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-2-thiophen-2-ylethanone
CID 97468528
(7S)-1-(cyclopropylmethyl)-7-(ethoxymethyl)-5-ethylsulfonyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine
CID 97368217
[7-(cyclopropylmethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-pyrazin-2-ylmethanone
CID 134072131
[(7R)-1-(cyclopropylmethyl)-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-thiophen-3-ylmethanone
CID 97468491
[(7S)-1-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyridin-2-ylmethanone
CID 97468451
[(7R)-1-(cyclopropylmethyl)-7-(ethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-(1,3-thiazol-4-yl)methanone
CID 97369076
cyclopenten-1-yl-[(7R)-1-(cyclopentylmethyl)-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]methanone
CID 97468553
[(7S)-7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyridazin-4-ylmethanone
CID 97468368
cyclopenten-1-yl-[7-(methoxymethyl)-1-(oxan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]methanone
CID 131649734
[(7R)-7-(cyclopropylmethoxymethyl)-1-ethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-thiophen-2-ylmethanone
CID 97415434

Frequently Asked Questions

What is the IUPAC name of [1-(cyclopropylmethyl)-7-(ethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [1-(cyclopropylmethyl)-7-(ethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyrazin-2-ylmethanone (CID 118745142) is [1-(cyclopropylmethyl)-7-(ethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [1-(cyclopropylmethyl)-7-(ethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [1-(cyclopropylmethyl)-7-(ethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyrazin-2-ylmethanone is CCOCC1CN(C(=O)c2cnccn2)Cc2cnn(CC3CC3)c21.
What is the InChIKey of [1-(cyclopropylmethyl)-7-(ethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyrazin-2-ylmethanone?
The InChIKey is GJWPTVNEOGDXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-2-25-12-15-11-22(18(24)16-8-19-5-6-20-16)10-14-7-21-23(17(14)15)9-13-3-4-13/h5-8,13,15H,2-4,9-12H2,1H3.
What are the key properties of [1-(cyclopropylmethyl)-7-(ethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyrazin-2-ylmethanone?
[1-(cyclopropylmethyl)-7-(ethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyrazin-2-ylmethanone has a molecular weight of 341.42 g/mol, XLogP of 1.86, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopropylmethyl)-7-(ethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 118745142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).