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

C18H23N5O2 — CID 118745120

IUPAC[7-(cyclopropylmethoxymethyl)-1-ethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyrimidin-4-ylmethanone
SMILESCCn1ncc2c1C(COCC1CC1)CN(C(=O)c1ccncn1)C2
InChIInChI=1S/C18H23N5O2/c1-2-23-17-14(7-21-23)8-22(18(24)16-5-6-19-12-20-16)9-15(17)11-25-10-13-3-4-13/h5-7,12-13,15H,2-4,8-11H2,1H3
InChIKeyLXENNQPMMOBSKF-UHFFFAOYSA-N
MW341.42 g/mol
LogP1.86
Rot. Bonds6

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

[7-(cyclopropylmethoxymethyl)-1-ethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyrimidin-4-ylmethanone (PubChem CID 118745120) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is [7-(cyclopropylmethoxymethyl)-1-ethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyrimidin-4-ylmethanone.

Molecular Properties

Compound Name[7-(cyclopropylmethoxymethyl)-1-ethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyrimidin-4-ylmethanone
PubChem CID118745120
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name[7-(cyclopropylmethoxymethyl)-1-ethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyrimidin-4-ylmethanone
SMILESCCn1ncc2c1C(COCC1CC1)CN(C(=O)c1ccncn1)C2
InChIInChI=1S/C18H23N5O2/c1-2-23-17-14(7-21-23)8-22(18(24)16-5-6-19-12-20-16)9-15(17)11-25-10-13-3-4-13/h5-7,12-13,15H,2-4,8-11H2,1H3
InChIKeyLXENNQPMMOBSKF-UHFFFAOYSA-N
XLogP1.86
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.86
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
1-(cyclopropylmethyl)-7-(methoxymethyl)-5-pyrimidin-2-yl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine
CID 118740754
7-(ethoxymethyl)-1-(oxan-4-ylmethyl)-5-pyrimidin-2-yl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine
CID 118741068
[7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyrimidin-4-ylmethanone
CID 118742658
[7-(ethoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-pyrimidin-4-ylmethanone
CID 118742662
[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-(ethoxymethyl)-1-ethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyrimidin-4-ylmethanone
CID 118745146
7-(cyclopropylmethoxymethyl)-1-ethyl-5-pyrimidin-4-yl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine
CID 118746829
1-(cyclopropylmethyl)-7-(ethoxymethyl)-5-pyrimidin-4-yl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine
CID 118746833
7-(ethoxymethyl)-1-ethyl-5-pyrimidin-4-yl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine
CID 118746836

Frequently Asked Questions

What is the IUPAC name of [7-(cyclopropylmethoxymethyl)-1-ethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyrimidin-4-ylmethanone?
The IUPAC name of [7-(cyclopropylmethoxymethyl)-1-ethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyrimidin-4-ylmethanone (CID 118745120) is [7-(cyclopropylmethoxymethyl)-1-ethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyrimidin-4-ylmethanone.
What is the SMILES notation for [7-(cyclopropylmethoxymethyl)-1-ethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyrimidin-4-ylmethanone?
The canonical SMILES for [7-(cyclopropylmethoxymethyl)-1-ethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyrimidin-4-ylmethanone is CCn1ncc2c1C(COCC1CC1)CN(C(=O)c1ccncn1)C2.
What is the InChIKey of [7-(cyclopropylmethoxymethyl)-1-ethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyrimidin-4-ylmethanone?
The InChIKey is LXENNQPMMOBSKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-2-23-17-14(7-21-23)8-22(18(24)16-5-6-19-12-20-16)9-15(17)11-25-10-13-3-4-13/h5-7,12-13,15H,2-4,8-11H2,1H3.
What are the key properties of [7-(cyclopropylmethoxymethyl)-1-ethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyrimidin-4-ylmethanone?
[7-(cyclopropylmethoxymethyl)-1-ethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyrimidin-4-ylmethanone has a molecular weight of 341.42 g/mol, XLogP of 1.86, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(cyclopropylmethoxymethyl)-1-ethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyrimidin-4-ylmethanone is sourced from PubChem (CID 118745120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).