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

C17H23N5O — CID 118746833

IUPAC1-(cyclopropylmethyl)-7-(ethoxymethyl)-5-pyrimidin-4-yl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine
SMILESCCOCC1CN(c2ccncn2)Cc2cnn(CC3CC3)c21
InChIInChI=1S/C17H23N5O/c1-2-23-11-15-10-21(16-5-6-18-12-19-16)9-14-7-20-22(17(14)15)8-13-3-4-13/h5-7,12-13,15H,2-4,8-11H2,1H3
InChIKeyKMLPTINWHYAWNI-UHFFFAOYSA-N
MW313.41 g/mol
LogP2.22
Rot. Bonds6

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

1-(cyclopropylmethyl)-7-(ethoxymethyl)-5-pyrimidin-4-yl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine (PubChem CID 118746833) has the molecular formula C17H23N5O and a molecular weight of 313.41 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-7-(ethoxymethyl)-5-pyrimidin-4-yl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-7-(ethoxymethyl)-5-pyrimidin-4-yl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine
PubChem CID118746833
Molecular FormulaC17H23N5O
Molecular Weight313.41 g/mol
Exact Mass313.19
IUPAC Name1-(cyclopropylmethyl)-7-(ethoxymethyl)-5-pyrimidin-4-yl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine
SMILESCCOCC1CN(c2ccncn2)Cc2cnn(CC3CC3)c21
InChIInChI=1S/C17H23N5O/c1-2-23-11-15-10-21(16-5-6-18-12-19-16)9-14-7-20-22(17(14)15)8-13-3-4-13/h5-7,12-13,15H,2-4,8-11H2,1H3
InChIKeyKMLPTINWHYAWNI-UHFFFAOYSA-N
XLogP2.22
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-7-(ethoxymethyl)-5-pyrimidin-4-yl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine?
The IUPAC name of 1-(cyclopropylmethyl)-7-(ethoxymethyl)-5-pyrimidin-4-yl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine (CID 118746833) is 1-(cyclopropylmethyl)-7-(ethoxymethyl)-5-pyrimidin-4-yl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine.
What is the SMILES notation for 1-(cyclopropylmethyl)-7-(ethoxymethyl)-5-pyrimidin-4-yl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine?
The canonical SMILES for 1-(cyclopropylmethyl)-7-(ethoxymethyl)-5-pyrimidin-4-yl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine is CCOCC1CN(c2ccncn2)Cc2cnn(CC3CC3)c21.
What is the InChIKey of 1-(cyclopropylmethyl)-7-(ethoxymethyl)-5-pyrimidin-4-yl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine?
The InChIKey is KMLPTINWHYAWNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-2-23-11-15-10-21(16-5-6-18-12-19-16)9-14-7-20-22(17(14)15)8-13-3-4-13/h5-7,12-13,15H,2-4,8-11H2,1H3.
What are the key properties of 1-(cyclopropylmethyl)-7-(ethoxymethyl)-5-pyrimidin-4-yl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine?
1-(cyclopropylmethyl)-7-(ethoxymethyl)-5-pyrimidin-4-yl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine has a molecular weight of 313.41 g/mol, XLogP of 2.22, 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-pyrimidin-4-yl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine is sourced from PubChem (CID 118746833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).