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

C15H19N5O2 — CID 118742662

IUPAC[7-(ethoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-pyrimidin-4-ylmethanone
SMILESCCOCC1c2c(cnn2C)CCN1C(=O)c1ccncn1
InChIInChI=1S/C15H19N5O2/c1-3-22-9-13-14-11(8-18-19(14)2)5-7-20(13)15(21)12-4-6-16-10-17-12/h4,6,8,10,13H,3,5,7,9H2,1-2H3
InChIKeyYSBVIHTUDYAICY-UHFFFAOYSA-N
MW301.35 g/mol
LogP0.99
Rot. Bonds4

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

[7-(ethoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-pyrimidin-4-ylmethanone (PubChem CID 118742662) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is [7-(ethoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-pyrimidin-4-ylmethanone.

Molecular Properties

Compound Name[7-(ethoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-pyrimidin-4-ylmethanone
PubChem CID118742662
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Name[7-(ethoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-pyrimidin-4-ylmethanone
SMILESCCOCC1c2c(cnn2C)CCN1C(=O)c1ccncn1
InChIInChI=1S/C15H19N5O2/c1-3-22-9-13-14-11(8-18-19(14)2)5-7-20(13)15(21)12-4-6-16-10-17-12/h4,6,8,10,13H,3,5,7,9H2,1-2H3
InChIKeyYSBVIHTUDYAICY-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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Related Compounds

[1-(cyclopropylmethyl)-4-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-pyrimidin-4-ylmethanone
CID 118739257
[7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyrimidin-4-ylmethanone
CID 118742658
[7-(cyclopropylmethoxymethyl)-1-ethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-pyrimidin-4-ylmethanone
CID 118742664
[1-(cyclopropylmethyl)-7-(ethoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-pyrimidin-4-ylmethanone
CID 118742680
[7-(cyclopropylmethoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-pyrimidin-4-ylmethanone
CID 118742683
[7-(cyclopropylmethoxymethyl)-1-ethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyrimidin-4-ylmethanone
CID 118745120
[7-(ethoxymethyl)-1-ethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyrimidin-4-ylmethanone
CID 118745146
(7-Isopropylpyrazolo[1,5-a]pyrimidin-5-yl)(morpholino)methanone
CID 53015026
7-[(1-ethyl-1H-pyrazol-5-yl)carbonyl]-4-morpholin-4-yl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine
CID 56885013
7-[(1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]-4-morpholin-4-yl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine
CID 56905958
[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)piperidino](1-ethyl-1H-pyrazol-5-yl)methanone
CID 71830050
[3-(6,7-Dihydro-5H-cyclopenta[D]pyrimidin-4-ylamino)piperidino](1-ethyl-1H-pyrazol-3-YL)methanone
CID 71836265

Frequently Asked Questions

What is the IUPAC name of [7-(ethoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-pyrimidin-4-ylmethanone?
The IUPAC name of [7-(ethoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-pyrimidin-4-ylmethanone (CID 118742662) is [7-(ethoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-pyrimidin-4-ylmethanone.
What is the SMILES notation for [7-(ethoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-pyrimidin-4-ylmethanone?
The canonical SMILES for [7-(ethoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-pyrimidin-4-ylmethanone is CCOCC1c2c(cnn2C)CCN1C(=O)c1ccncn1.
What is the InChIKey of [7-(ethoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-pyrimidin-4-ylmethanone?
The InChIKey is YSBVIHTUDYAICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2/c1-3-22-9-13-14-11(8-18-19(14)2)5-7-20(13)15(21)12-4-6-16-10-17-12/h4,6,8,10,13H,3,5,7,9H2,1-2H3.
What are the key properties of [7-(ethoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-pyrimidin-4-ylmethanone?
[7-(ethoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-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-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-pyrimidin-4-ylmethanone is sourced from PubChem (CID 118742662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).