[6-(cyclobutylmethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]-morpholin-4-ylmethanone

C17H26N4O2 — CID 97389024

IUPAC[6-(cyclobutylmethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]-morpholin-4-ylmethanone
SMILESCn1nc(C(=O)N2CCOCC2)c2c1CN(CC1CCC1)CC2
InChIInChI=1S/C17H26N4O2/c1-19-15-12-20(11-13-3-2-4-13)6-5-14(15)16(18-19)17(22)21-7-9-23-10-8-21/h13H,2-12H2,1H3
InChIKeyXULBNNNZGQDXQY-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.05
Rot. Bonds3

About [6-(cyclobutylmethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]-morpholin-4-ylmethanone

[6-(cyclobutylmethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]-morpholin-4-ylmethanone (PubChem CID 97389024) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is [6-(cyclobutylmethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[6-(cyclobutylmethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]-morpholin-4-ylmethanone
PubChem CID97389024
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name[6-(cyclobutylmethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]-morpholin-4-ylmethanone
SMILESCn1nc(C(=O)N2CCOCC2)c2c1CN(CC1CCC1)CC2
InChIInChI=1S/C17H26N4O2/c1-19-15-12-20(11-13-3-2-4-13)6-5-14(15)16(18-19)17(22)21-7-9-23-10-8-21/h13H,2-12H2,1H3
InChIKeyXULBNNNZGQDXQY-UHFFFAOYSA-N
XLogP1.05
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [6-(cyclobutylmethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [6-(cyclobutylmethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]-morpholin-4-ylmethanone (CID 97389024) is [6-(cyclobutylmethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [6-(cyclobutylmethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [6-(cyclobutylmethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]-morpholin-4-ylmethanone is Cn1nc(C(=O)N2CCOCC2)c2c1CN(CC1CCC1)CC2.
What is the InChIKey of [6-(cyclobutylmethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]-morpholin-4-ylmethanone?
The InChIKey is XULBNNNZGQDXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-19-15-12-20(11-13-3-2-4-13)6-5-14(15)16(18-19)17(22)21-7-9-23-10-8-21/h13H,2-12H2,1H3.
What are the key properties of [6-(cyclobutylmethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]-morpholin-4-ylmethanone?
[6-(cyclobutylmethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]-morpholin-4-ylmethanone has a molecular weight of 318.42 g/mol, XLogP of 1.05, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(cyclobutylmethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 97389024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).