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

C19H26N4O2 — CID 118744303

IUPAC[1-(cyclopropylmethyl)-7-(ethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-(1-methylpyrrol-2-yl)methanone
SMILESCCOCC1CN(C(=O)c2cccn2C)Cc2cnn(CC3CC3)c21
InChIInChI=1S/C19H26N4O2/c1-3-25-13-16-12-22(19(24)17-5-4-8-21(17)2)11-15-9-20-23(18(15)16)10-14-6-7-14/h4-5,8-9,14,16H,3,6-7,10-13H2,1-2H3
InChIKeyZBEMDTRQUSKVIO-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.41
Rot. Bonds6

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

[1-(cyclopropylmethyl)-7-(ethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-(1-methylpyrrol-2-yl)methanone (PubChem CID 118744303) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is [1-(cyclopropylmethyl)-7-(ethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-(1-methylpyrrol-2-yl)methanone.

Molecular Properties

Compound Name[1-(cyclopropylmethyl)-7-(ethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-(1-methylpyrrol-2-yl)methanone
PubChem CID118744303
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name[1-(cyclopropylmethyl)-7-(ethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-(1-methylpyrrol-2-yl)methanone
SMILESCCOCC1CN(C(=O)c2cccn2C)Cc2cnn(CC3CC3)c21
InChIInChI=1S/C19H26N4O2/c1-3-25-13-16-12-22(19(24)17-5-4-8-21(17)2)11-15-9-20-23(18(15)16)10-14-6-7-14/h4-5,8-9,14,16H,3,6-7,10-13H2,1-2H3
InChIKeyZBEMDTRQUSKVIO-UHFFFAOYSA-N
XLogP2.41
TPSA52.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[(1-Ethylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 53594679
2-[5-Methyl-3-(trifluoromethyl)-1H-pyrazol-1-YL]-N-{[2-(2-methylpropyl)-1-oxo-1H,2H,3H,4H-pyrrolo[1,2-A]pyrazin-3-YL]methyl}acetamide
CID 91909682
[(2S,3R)-3-(dimethylamino)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 97384339
[1-[(1-Methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-(1-methylpyrrol-2-yl)methanone
CID 97397002
[1-Methyl-3-(piperidin-1-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-(1-methylpyrrol-2-yl)methanone
CID 97405335
6-(cyclopropylmethyl)-N,1-dimethyl-N-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxamide
CID 97461961
[1-methyl-3-(pyrrolidin-1-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-pyridin-3-ylmethanone
CID 97516858
[1-(cyclopropylmethyl)-4-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-(1-methylpyrrol-2-yl)methanone
CID 118739256
[7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyridin-3-ylmethanone
CID 118739380
[7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-(6-methyl-2-pyridinyl)methanone
CID 118739388
[7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-(1-methylpyrrol-2-yl)methanone
CID 118739633
[3-(1-Methylpyrazol-4-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1-methylpyrrol-2-yl)methanone
CID 118740909

Frequently Asked Questions

What is the IUPAC name of [1-(cyclopropylmethyl)-7-(ethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-(1-methylpyrrol-2-yl)methanone?
The IUPAC name of [1-(cyclopropylmethyl)-7-(ethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-(1-methylpyrrol-2-yl)methanone (CID 118744303) is [1-(cyclopropylmethyl)-7-(ethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-(1-methylpyrrol-2-yl)methanone.
What is the SMILES notation for [1-(cyclopropylmethyl)-7-(ethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-(1-methylpyrrol-2-yl)methanone?
The canonical SMILES for [1-(cyclopropylmethyl)-7-(ethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-(1-methylpyrrol-2-yl)methanone is CCOCC1CN(C(=O)c2cccn2C)Cc2cnn(CC3CC3)c21.
What is the InChIKey of [1-(cyclopropylmethyl)-7-(ethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-(1-methylpyrrol-2-yl)methanone?
The InChIKey is ZBEMDTRQUSKVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-3-25-13-16-12-22(19(24)17-5-4-8-21(17)2)11-15-9-20-23(18(15)16)10-14-6-7-14/h4-5,8-9,14,16H,3,6-7,10-13H2,1-2H3.
What are the key properties of [1-(cyclopropylmethyl)-7-(ethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-(1-methylpyrrol-2-yl)methanone?
[1-(cyclopropylmethyl)-7-(ethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-(1-methylpyrrol-2-yl)methanone has a molecular weight of 342.44 g/mol, XLogP of 2.41, 6 rotatable bonds, 0 hydrogen bond donors, and 5 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]-(1-methylpyrrol-2-yl)methanone is sourced from PubChem (CID 118744303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).