2-(1H-pyrazol-5-ylmethyl)-11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane

C17H24N6O — CID 118742929

IUPAC2-(1H-pyrazol-5-ylmethyl)-11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane
SMILESc1cnc(N2CCOCC3(CCCN(Cc4ccn[nH]4)C3)C2)nc1
InChIInChI=1S/C17H24N6O/c1-4-17(12-22(8-1)11-15-3-7-20-21-15)13-23(9-10-24-14-17)16-18-5-2-6-19-16/h2-3,5-7H,1,4,8-14H2,(H,20,21)
InChIKeyYUDWJZGOVNXLEE-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.32
Rot. Bonds3

About 2-(1H-pyrazol-5-ylmethyl)-11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane

2-(1H-pyrazol-5-ylmethyl)-11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane (PubChem CID 118742929) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is 2-(1H-pyrazol-5-ylmethyl)-11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane.

Molecular Properties

Compound Name2-(1H-pyrazol-5-ylmethyl)-11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane
PubChem CID118742929
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC Name2-(1H-pyrazol-5-ylmethyl)-11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane
SMILESc1cnc(N2CCOCC3(CCCN(Cc4ccn[nH]4)C3)C2)nc1
InChIInChI=1S/C17H24N6O/c1-4-17(12-22(8-1)11-15-3-7-20-21-15)13-23(9-10-24-14-17)16-18-5-2-6-19-16/h2-3,5-7H,1,4,8-14H2,(H,20,21)
InChIKeyYUDWJZGOVNXLEE-UHFFFAOYSA-N
XLogP1.32
TPSA70.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-pyrazol-5-ylmethyl)-11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane?
The IUPAC name of 2-(1H-pyrazol-5-ylmethyl)-11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane (CID 118742929) is 2-(1H-pyrazol-5-ylmethyl)-11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane.
What is the SMILES notation for 2-(1H-pyrazol-5-ylmethyl)-11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane?
The canonical SMILES for 2-(1H-pyrazol-5-ylmethyl)-11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane is c1cnc(N2CCOCC3(CCCN(Cc4ccn[nH]4)C3)C2)nc1.
What is the InChIKey of 2-(1H-pyrazol-5-ylmethyl)-11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane?
The InChIKey is YUDWJZGOVNXLEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O/c1-4-17(12-22(8-1)11-15-3-7-20-21-15)13-23(9-10-24-14-17)16-18-5-2-6-19-16/h2-3,5-7H,1,4,8-14H2,(H,20,21).
What are the key properties of 2-(1H-pyrazol-5-ylmethyl)-11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane?
2-(1H-pyrazol-5-ylmethyl)-11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane has a molecular weight of 328.42 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-pyrazol-5-ylmethyl)-11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane is sourced from PubChem (CID 118742929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).