9-(pyridin-3-ylmethyl)-3-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecane

C19H25N5 — CID 97450403

IUPAC9-(pyridin-3-ylmethyl)-3-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecane
SMILESc1cnc(N2CCC3(CCN(Cc4cccnc4)CC3)CC2)nc1
InChIInChI=1S/C19H25N5/c1-3-17(15-20-8-1)16-23-11-4-19(5-12-23)6-13-24(14-7-19)18-21-9-2-10-22-18/h1-3,8-10,15H,4-7,11-14,16H2
InChIKeyXBAVACAMQZQGFB-UHFFFAOYSA-N
MW323.44 g/mol
LogP2.75
Rot. Bonds3

About 9-(pyridin-3-ylmethyl)-3-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecane

9-(pyridin-3-ylmethyl)-3-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecane (PubChem CID 97450403) has the molecular formula C19H25N5 and a molecular weight of 323.44 g/mol. Its IUPAC name is 9-(pyridin-3-ylmethyl)-3-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name9-(pyridin-3-ylmethyl)-3-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecane
PubChem CID97450403
Molecular FormulaC19H25N5
Molecular Weight323.44 g/mol
Exact Mass323.21
IUPAC Name9-(pyridin-3-ylmethyl)-3-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecane
SMILESc1cnc(N2CCC3(CCN(Cc4cccnc4)CC3)CC2)nc1
InChIInChI=1S/C19H25N5/c1-3-17(15-20-8-1)16-23-11-4-19(5-12-23)6-13-24(14-7-19)18-21-9-2-10-22-18/h1-3,8-10,15H,4-7,11-14,16H2
InChIKeyXBAVACAMQZQGFB-UHFFFAOYSA-N
XLogP2.75
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-(pyridin-3-ylmethyl)-3-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecane?
The IUPAC name of 9-(pyridin-3-ylmethyl)-3-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecane (CID 97450403) is 9-(pyridin-3-ylmethyl)-3-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 9-(pyridin-3-ylmethyl)-3-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecane?
The canonical SMILES for 9-(pyridin-3-ylmethyl)-3-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecane is c1cnc(N2CCC3(CCN(Cc4cccnc4)CC3)CC2)nc1.
What is the InChIKey of 9-(pyridin-3-ylmethyl)-3-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecane?
The InChIKey is XBAVACAMQZQGFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5/c1-3-17(15-20-8-1)16-23-11-4-19(5-12-23)6-13-24(14-7-19)18-21-9-2-10-22-18/h1-3,8-10,15H,4-7,11-14,16H2.
What are the key properties of 9-(pyridin-3-ylmethyl)-3-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecane?
9-(pyridin-3-ylmethyl)-3-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecane has a molecular weight of 323.44 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(pyridin-3-ylmethyl)-3-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 97450403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).