[2-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-pyrimidin-4-ylmethanone

C15H19N5O2 — CID 134070162

IUPAC[2-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-pyrimidin-4-ylmethanone
SMILESCCn1cc2c(n1)C(COC)CN(C(=O)c1ccncn1)C2
InChIInChI=1S/C15H19N5O2/c1-3-20-8-11-6-19(7-12(9-22-2)14(11)18-20)15(21)13-4-5-16-10-17-13/h4-5,8,10,12H,3,6-7,9H2,1-2H3
InChIKeyYLKUHUNVHPGAHG-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.08
Rot. Bonds4

About [2-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-pyrimidin-4-ylmethanone

[2-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-pyrimidin-4-ylmethanone (PubChem CID 134070162) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is [2-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-pyrimidin-4-ylmethanone.

Molecular Properties

Compound Name[2-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-pyrimidin-4-ylmethanone
PubChem CID134070162
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Name[2-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-pyrimidin-4-ylmethanone
SMILESCCn1cc2c(n1)C(COC)CN(C(=O)c1ccncn1)C2
InChIInChI=1S/C15H19N5O2/c1-3-20-8-11-6-19(7-12(9-22-2)14(11)18-20)15(21)13-4-5-16-10-17-13/h4-5,8,10,12H,3,6-7,9H2,1-2H3
InChIKeyYLKUHUNVHPGAHG-UHFFFAOYSA-N
XLogP1.08
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 ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-pyrimidin-4-ylmethanone?
The IUPAC name of [2-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-pyrimidin-4-ylmethanone (CID 134070162) is [2-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-pyrimidin-4-ylmethanone.
What is the SMILES notation for [2-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-pyrimidin-4-ylmethanone?
The canonical SMILES for [2-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-pyrimidin-4-ylmethanone is CCn1cc2c(n1)C(COC)CN(C(=O)c1ccncn1)C2.
What is the InChIKey of [2-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-pyrimidin-4-ylmethanone?
The InChIKey is YLKUHUNVHPGAHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2/c1-3-20-8-11-6-19(7-12(9-22-2)14(11)18-20)15(21)13-4-5-16-10-17-13/h4-5,8,10,12H,3,6-7,9H2,1-2H3.
What are the key properties of [2-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-pyrimidin-4-ylmethanone?
[2-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-pyrimidin-4-ylmethanone has a molecular weight of 301.35 g/mol, XLogP of 1.08, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-pyrimidin-4-ylmethanone is sourced from PubChem (CID 134070162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).