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

C18H23N5O2 — CID 118742680

IUPAC[1-(cyclopropylmethyl)-7-(ethoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-pyrimidin-4-ylmethanone
SMILESCCOCC1c2c(cnn2CC2CC2)CCN1C(=O)c1ccncn1
InChIInChI=1S/C18H23N5O2/c1-2-25-11-16-17-14(9-21-23(17)10-13-3-4-13)6-8-22(16)18(24)15-5-7-19-12-20-15/h5,7,9,12-13,16H,2-4,6,8,10-11H2,1H3
InChIKeyFJENMBLCZJGBNA-UHFFFAOYSA-N
MW341.42 g/mol
LogP1.86
Rot. Bonds6

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

[1-(cyclopropylmethyl)-7-(ethoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-pyrimidin-4-ylmethanone (PubChem CID 118742680) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is [1-(cyclopropylmethyl)-7-(ethoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-pyrimidin-4-ylmethanone.

Molecular Properties

Compound Name[1-(cyclopropylmethyl)-7-(ethoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-pyrimidin-4-ylmethanone
PubChem CID118742680
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name[1-(cyclopropylmethyl)-7-(ethoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-pyrimidin-4-ylmethanone
SMILESCCOCC1c2c(cnn2CC2CC2)CCN1C(=O)c1ccncn1
InChIInChI=1S/C18H23N5O2/c1-2-25-11-16-17-14(9-21-23(17)10-13-3-4-13)6-8-22(16)18(24)15-5-7-19-12-20-15/h5,7,9,12-13,16H,2-4,6,8,10-11H2,1H3
InChIKeyFJENMBLCZJGBNA-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

Analyze [1-(cyclopropylmethyl)-7-(ethoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-pyrimidin-4-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-(cyclopropylmethyl)-7-(ethoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-pyrimidin-4-ylmethanone?
The IUPAC name of [1-(cyclopropylmethyl)-7-(ethoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-pyrimidin-4-ylmethanone (CID 118742680) is [1-(cyclopropylmethyl)-7-(ethoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-pyrimidin-4-ylmethanone.
What is the SMILES notation for [1-(cyclopropylmethyl)-7-(ethoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-pyrimidin-4-ylmethanone?
The canonical SMILES for [1-(cyclopropylmethyl)-7-(ethoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-pyrimidin-4-ylmethanone is CCOCC1c2c(cnn2CC2CC2)CCN1C(=O)c1ccncn1.
What is the InChIKey of [1-(cyclopropylmethyl)-7-(ethoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-pyrimidin-4-ylmethanone?
The InChIKey is FJENMBLCZJGBNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-2-25-11-16-17-14(9-21-23(17)10-13-3-4-13)6-8-22(16)18(24)15-5-7-19-12-20-15/h5,7,9,12-13,16H,2-4,6,8,10-11H2,1H3.
What are the key properties of [1-(cyclopropylmethyl)-7-(ethoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-pyrimidin-4-ylmethanone?
[1-(cyclopropylmethyl)-7-(ethoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-pyrimidin-4-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)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-pyrimidin-4-ylmethanone is sourced from PubChem (CID 118742680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).