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

C15H19N5O2 — CID 118742658

IUPAC[7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyrimidin-4-ylmethanone
SMILESCCOCC1CN(C(=O)c2ccncn2)Cc2cnn(C)c21
InChIInChI=1S/C15H19N5O2/c1-3-22-9-12-8-20(7-11-6-18-19(2)14(11)12)15(21)13-4-5-16-10-17-13/h4-6,10,12H,3,7-9H2,1-2H3
InChIKeyLYNCVWVLOYTXAX-UHFFFAOYSA-N
MW301.35 g/mol
LogP0.99
Rot. Bonds4

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

[7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyrimidin-4-ylmethanone (PubChem CID 118742658) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is [7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyrimidin-4-ylmethanone.

Molecular Properties

Compound Name[7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyrimidin-4-ylmethanone
PubChem CID118742658
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Name[7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyrimidin-4-ylmethanone
SMILESCCOCC1CN(C(=O)c2ccncn2)Cc2cnn(C)c21
InChIInChI=1S/C15H19N5O2/c1-3-22-9-12-8-20(7-11-6-18-19(2)14(11)12)15(21)13-4-5-16-10-17-13/h4-6,10,12H,3,7-9H2,1-2H3
InChIKeyLYNCVWVLOYTXAX-UHFFFAOYSA-N
XLogP0.99
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyrimidin-4-ylmethanone?
The IUPAC name of [7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyrimidin-4-ylmethanone (CID 118742658) is [7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyrimidin-4-ylmethanone.
What is the SMILES notation for [7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyrimidin-4-ylmethanone?
The canonical SMILES for [7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyrimidin-4-ylmethanone is CCOCC1CN(C(=O)c2ccncn2)Cc2cnn(C)c21.
What is the InChIKey of [7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyrimidin-4-ylmethanone?
The InChIKey is LYNCVWVLOYTXAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2/c1-3-22-9-12-8-20(7-11-6-18-19(2)14(11)12)15(21)13-4-5-16-10-17-13/h4-6,10,12H,3,7-9H2,1-2H3.
What are the key properties of [7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyrimidin-4-ylmethanone?
[7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyrimidin-4-ylmethanone has a molecular weight of 301.35 g/mol, XLogP of 0.99, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyrimidin-4-ylmethanone is sourced from PubChem (CID 118742658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).