7-(ethoxymethyl)-1-(oxan-4-ylmethyl)-5-pyrimidin-2-yl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine

C19H27N5O2 — CID 118741068

IUPAC7-(ethoxymethyl)-1-(oxan-4-ylmethyl)-5-pyrimidin-2-yl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine
SMILESCCOCC1CN(c2ncccn2)Cc2cnn(CC3CCOCC3)c21
InChIInChI=1S/C19H27N5O2/c1-2-25-14-17-13-23(19-20-6-3-7-21-19)12-16-10-22-24(18(16)17)11-15-4-8-26-9-5-15/h3,6-7,10,15,17H,2,4-5,8-9,11-14H2,1H3
InChIKeyKCXCYFUWCOSCSU-UHFFFAOYSA-N
MW357.46 g/mol
LogP2.24
Rot. Bonds6

About 7-(ethoxymethyl)-1-(oxan-4-ylmethyl)-5-pyrimidin-2-yl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine

7-(ethoxymethyl)-1-(oxan-4-ylmethyl)-5-pyrimidin-2-yl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine (PubChem CID 118741068) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is 7-(ethoxymethyl)-1-(oxan-4-ylmethyl)-5-pyrimidin-2-yl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine.

Molecular Properties

Compound Name7-(ethoxymethyl)-1-(oxan-4-ylmethyl)-5-pyrimidin-2-yl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine
PubChem CID118741068
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC Name7-(ethoxymethyl)-1-(oxan-4-ylmethyl)-5-pyrimidin-2-yl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine
SMILESCCOCC1CN(c2ncccn2)Cc2cnn(CC3CCOCC3)c21
InChIInChI=1S/C19H27N5O2/c1-2-25-14-17-13-23(19-20-6-3-7-21-19)12-16-10-22-24(18(16)17)11-15-4-8-26-9-5-15/h3,6-7,10,15,17H,2,4-5,8-9,11-14H2,1H3
InChIKeyKCXCYFUWCOSCSU-UHFFFAOYSA-N
XLogP2.24
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(ethoxymethyl)-1-(oxan-4-ylmethyl)-5-pyrimidin-2-yl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine?
The IUPAC name of 7-(ethoxymethyl)-1-(oxan-4-ylmethyl)-5-pyrimidin-2-yl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine (CID 118741068) is 7-(ethoxymethyl)-1-(oxan-4-ylmethyl)-5-pyrimidin-2-yl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine.
What is the SMILES notation for 7-(ethoxymethyl)-1-(oxan-4-ylmethyl)-5-pyrimidin-2-yl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine?
The canonical SMILES for 7-(ethoxymethyl)-1-(oxan-4-ylmethyl)-5-pyrimidin-2-yl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine is CCOCC1CN(c2ncccn2)Cc2cnn(CC3CCOCC3)c21.
What is the InChIKey of 7-(ethoxymethyl)-1-(oxan-4-ylmethyl)-5-pyrimidin-2-yl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine?
The InChIKey is KCXCYFUWCOSCSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-2-25-14-17-13-23(19-20-6-3-7-21-19)12-16-10-22-24(18(16)17)11-15-4-8-26-9-5-15/h3,6-7,10,15,17H,2,4-5,8-9,11-14H2,1H3.
What are the key properties of 7-(ethoxymethyl)-1-(oxan-4-ylmethyl)-5-pyrimidin-2-yl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine?
7-(ethoxymethyl)-1-(oxan-4-ylmethyl)-5-pyrimidin-2-yl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine has a molecular weight of 357.46 g/mol, XLogP of 2.24, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(ethoxymethyl)-1-(oxan-4-ylmethyl)-5-pyrimidin-2-yl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine is sourced from PubChem (CID 118741068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).