4-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-1-oxa-9-azaspiro[5.5]undecane;dihydrochloride

C16H28Cl2N4O — CID 154920458

IUPAC4-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-1-oxa-9-azaspiro[5.5]undecane;dihydrochloride
SMILESCc1cc2n(n1)CCN(C1CCOC3(CCNCC3)C1)C2.Cl.Cl
InChIInChI=1S/C16H26N4O.2ClH/c1-13-10-15-12-19(7-8-20(15)18-13)14-2-9-21-16(11-14)3-5-17-6-4-16;;/h10,14,17H,2-9,11-12H2,1H3;2*1H
InChIKeyUAUXUODJWZXDSM-UHFFFAOYSA-N
MW363.33 g/mol
LogP2.15
Rot. Bonds1

About 4-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-1-oxa-9-azaspiro[5.5]undecane;dihydrochloride

4-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-1-oxa-9-azaspiro[5.5]undecane;dihydrochloride (PubChem CID 154920458) has the molecular formula C16H28Cl2N4O and a molecular weight of 363.33 g/mol. Its IUPAC name is 4-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-1-oxa-9-azaspiro[5.5]undecane;dihydrochloride.

Molecular Properties

Compound Name4-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-1-oxa-9-azaspiro[5.5]undecane;dihydrochloride
PubChem CID154920458
Molecular FormulaC16H28Cl2N4O
Molecular Weight363.33 g/mol
Exact Mass362.16
IUPAC Name4-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-1-oxa-9-azaspiro[5.5]undecane;dihydrochloride
SMILESCc1cc2n(n1)CCN(C1CCOC3(CCNCC3)C1)C2.Cl.Cl
InChIInChI=1S/C16H26N4O.2ClH/c1-13-10-15-12-19(7-8-20(15)18-13)14-2-9-21-16(11-14)3-5-17-6-4-16;;/h10,14,17H,2-9,11-12H2,1H3;2*1H
InChIKeyUAUXUODJWZXDSM-UHFFFAOYSA-N
XLogP2.15
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.33
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-1-oxa-9-azaspiro[5.5]undecane;dihydrochloride?
The IUPAC name of 4-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-1-oxa-9-azaspiro[5.5]undecane;dihydrochloride (CID 154920458) is 4-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-1-oxa-9-azaspiro[5.5]undecane;dihydrochloride.
What is the SMILES notation for 4-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-1-oxa-9-azaspiro[5.5]undecane;dihydrochloride?
The canonical SMILES for 4-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-1-oxa-9-azaspiro[5.5]undecane;dihydrochloride is Cc1cc2n(n1)CCN(C1CCOC3(CCNCC3)C1)C2.Cl.Cl.
What is the InChIKey of 4-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-1-oxa-9-azaspiro[5.5]undecane;dihydrochloride?
The InChIKey is UAUXUODJWZXDSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O.2ClH/c1-13-10-15-12-19(7-8-20(15)18-13)14-2-9-21-16(11-14)3-5-17-6-4-16;;/h10,14,17H,2-9,11-12H2,1H3;2*1H.
What are the key properties of 4-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-1-oxa-9-azaspiro[5.5]undecane;dihydrochloride?
4-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-1-oxa-9-azaspiro[5.5]undecane;dihydrochloride has a molecular weight of 363.33 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-1-oxa-9-azaspiro[5.5]undecane;dihydrochloride is sourced from PubChem (CID 154920458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).