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

C18H24N4O2 — CID 118743951

IUPAC[1-(cyclopropylmethyl)-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(1-methylpyrrol-2-yl)methanone
SMILESCOCC1CN(C(=O)c2cccn2C)Cc2c1cnn2CC1CC1
InChIInChI=1S/C18H24N4O2/c1-20-7-3-4-16(20)18(23)21-10-14(12-24-2)15-8-19-22(17(15)11-21)9-13-5-6-13/h3-4,7-8,13-14H,5-6,9-12H2,1-2H3
InChIKeyDWGTXKRIFFVJRH-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.02
Rot. Bonds5

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

[1-(cyclopropylmethyl)-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(1-methylpyrrol-2-yl)methanone (PubChem CID 118743951) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is [1-(cyclopropylmethyl)-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(1-methylpyrrol-2-yl)methanone.

Molecular Properties

Compound Name[1-(cyclopropylmethyl)-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(1-methylpyrrol-2-yl)methanone
PubChem CID118743951
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name[1-(cyclopropylmethyl)-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(1-methylpyrrol-2-yl)methanone
SMILESCOCC1CN(C(=O)c2cccn2C)Cc2c1cnn2CC1CC1
InChIInChI=1S/C18H24N4O2/c1-20-7-3-4-16(20)18(23)21-10-14(12-24-2)15-8-19-22(17(15)11-21)9-13-5-6-13/h3-4,7-8,13-14H,5-6,9-12H2,1-2H3
InChIKeyDWGTXKRIFFVJRH-UHFFFAOYSA-N
XLogP2.02
TPSA52.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(cyclopropylmethyl)-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(1-methylpyrrol-2-yl)methanone?
The IUPAC name of [1-(cyclopropylmethyl)-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(1-methylpyrrol-2-yl)methanone (CID 118743951) is [1-(cyclopropylmethyl)-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(1-methylpyrrol-2-yl)methanone.
What is the SMILES notation for [1-(cyclopropylmethyl)-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(1-methylpyrrol-2-yl)methanone?
The canonical SMILES for [1-(cyclopropylmethyl)-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(1-methylpyrrol-2-yl)methanone is COCC1CN(C(=O)c2cccn2C)Cc2c1cnn2CC1CC1.
What is the InChIKey of [1-(cyclopropylmethyl)-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(1-methylpyrrol-2-yl)methanone?
The InChIKey is DWGTXKRIFFVJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-20-7-3-4-16(20)18(23)21-10-14(12-24-2)15-8-19-22(17(15)11-21)9-13-5-6-13/h3-4,7-8,13-14H,5-6,9-12H2,1-2H3.
What are the key properties of [1-(cyclopropylmethyl)-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(1-methylpyrrol-2-yl)methanone?
[1-(cyclopropylmethyl)-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(1-methylpyrrol-2-yl)methanone has a molecular weight of 328.42 g/mol, XLogP of 2.02, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopropylmethyl)-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(1-methylpyrrol-2-yl)methanone is sourced from PubChem (CID 118743951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).