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

C19H30N4O2 — CID 155901237

IUPAC[6-(cyclohexylmethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]-morpholin-4-ylmethanone
SMILESCn1nc(C(=O)N2CCOCC2)c2c1CN(CC1CCCCC1)CC2
InChIInChI=1S/C19H30N4O2/c1-21-17-14-22(13-15-5-3-2-4-6-15)8-7-16(17)18(20-21)19(24)23-9-11-25-12-10-23/h15H,2-14H2,1H3
InChIKeyAYARQSUDZFRDRH-UHFFFAOYSA-N
MW346.48 g/mol
LogP1.83
Rot. Bonds3

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

[6-(cyclohexylmethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]-morpholin-4-ylmethanone (PubChem CID 155901237) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is [6-(cyclohexylmethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[6-(cyclohexylmethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]-morpholin-4-ylmethanone
PubChem CID155901237
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name[6-(cyclohexylmethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]-morpholin-4-ylmethanone
SMILESCn1nc(C(=O)N2CCOCC2)c2c1CN(CC1CCCCC1)CC2
InChIInChI=1S/C19H30N4O2/c1-21-17-14-22(13-15-5-3-2-4-6-15)8-7-16(17)18(20-21)19(24)23-9-11-25-12-10-23/h15H,2-14H2,1H3
InChIKeyAYARQSUDZFRDRH-UHFFFAOYSA-N
XLogP1.83
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [6-(cyclohexylmethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [6-(cyclohexylmethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]-morpholin-4-ylmethanone (CID 155901237) is [6-(cyclohexylmethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [6-(cyclohexylmethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [6-(cyclohexylmethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]-morpholin-4-ylmethanone is Cn1nc(C(=O)N2CCOCC2)c2c1CN(CC1CCCCC1)CC2.
What is the InChIKey of [6-(cyclohexylmethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]-morpholin-4-ylmethanone?
The InChIKey is AYARQSUDZFRDRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-21-17-14-22(13-15-5-3-2-4-6-15)8-7-16(17)18(20-21)19(24)23-9-11-25-12-10-23/h15H,2-14H2,1H3.
What are the key properties of [6-(cyclohexylmethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]-morpholin-4-ylmethanone?
[6-(cyclohexylmethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]-morpholin-4-ylmethanone has a molecular weight of 346.48 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(cyclohexylmethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 155901237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).