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

C17H21N5O2 — CID 118742683

IUPAC[7-(cyclopropylmethoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-pyrimidin-4-ylmethanone
SMILESCn1ncc2c1C(COCC1CC1)N(C(=O)c1ccncn1)CC2
InChIInChI=1S/C17H21N5O2/c1-21-16-13(8-20-21)5-7-22(15(16)10-24-9-12-2-3-12)17(23)14-4-6-18-11-19-14/h4,6,8,11-12,15H,2-3,5,7,9-10H2,1H3
InChIKeyUJGBBINVHXMXHL-UHFFFAOYSA-N
MW327.39 g/mol
LogP1.38
Rot. Bonds5

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

[7-(cyclopropylmethoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-pyrimidin-4-ylmethanone (PubChem CID 118742683) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is [7-(cyclopropylmethoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-pyrimidin-4-ylmethanone.

Molecular Properties

Compound Name[7-(cyclopropylmethoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-pyrimidin-4-ylmethanone
PubChem CID118742683
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name[7-(cyclopropylmethoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-pyrimidin-4-ylmethanone
SMILESCn1ncc2c1C(COCC1CC1)N(C(=O)c1ccncn1)CC2
InChIInChI=1S/C17H21N5O2/c1-21-16-13(8-20-21)5-7-22(15(16)10-24-9-12-2-3-12)17(23)14-4-6-18-11-19-14/h4,6,8,11-12,15H,2-3,5,7,9-10H2,1H3
InChIKeyUJGBBINVHXMXHL-UHFFFAOYSA-N
XLogP1.38
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [7-(cyclopropylmethoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-pyrimidin-4-ylmethanone?
The IUPAC name of [7-(cyclopropylmethoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-pyrimidin-4-ylmethanone (CID 118742683) is [7-(cyclopropylmethoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-pyrimidin-4-ylmethanone.
What is the SMILES notation for [7-(cyclopropylmethoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-pyrimidin-4-ylmethanone?
The canonical SMILES for [7-(cyclopropylmethoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-pyrimidin-4-ylmethanone is Cn1ncc2c1C(COCC1CC1)N(C(=O)c1ccncn1)CC2.
What is the InChIKey of [7-(cyclopropylmethoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-pyrimidin-4-ylmethanone?
The InChIKey is UJGBBINVHXMXHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-21-16-13(8-20-21)5-7-22(15(16)10-24-9-12-2-3-12)17(23)14-4-6-18-11-19-14/h4,6,8,11-12,15H,2-3,5,7,9-10H2,1H3.
What are the key properties of [7-(cyclopropylmethoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-pyrimidin-4-ylmethanone?
[7-(cyclopropylmethoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-pyrimidin-4-ylmethanone has a molecular weight of 327.39 g/mol, XLogP of 1.38, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(cyclopropylmethoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-pyrimidin-4-ylmethanone is sourced from PubChem (CID 118742683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).