6-chloro-3-[4-(2,6-diazaspiro[3.5]nonan-6-yl)pyrimidin-2-yl]imidazo[1,2-a]pyridine

C18H19ClN6 — CID 139344741

IUPAC6-chloro-3-[4-(2,6-diazaspiro[3.5]nonan-6-yl)pyrimidin-2-yl]imidazo[1,2-a]pyridine
SMILESClc1ccc2ncc(-c3nccc(N4CCCC5(CNC5)C4)n3)n2c1
InChIInChI=1S/C18H19ClN6/c19-13-2-3-15-22-8-14(25(15)9-13)17-21-6-4-16(23-17)24-7-1-5-18(12-24)10-20-11-18/h2-4,6,8-9,20H,1,5,7,10-12H2
InChIKeyBDEDPADMCIMXRG-UHFFFAOYSA-N
MW354.85 g/mol
LogP2.63
Rot. Bonds2

About 6-chloro-3-[4-(2,6-diazaspiro[3.5]nonan-6-yl)pyrimidin-2-yl]imidazo[1,2-a]pyridine

6-chloro-3-[4-(2,6-diazaspiro[3.5]nonan-6-yl)pyrimidin-2-yl]imidazo[1,2-a]pyridine (PubChem CID 139344741) has the molecular formula C18H19ClN6 and a molecular weight of 354.85 g/mol. Its IUPAC name is 6-chloro-3-[4-(2,6-diazaspiro[3.5]nonan-6-yl)pyrimidin-2-yl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-chloro-3-[4-(2,6-diazaspiro[3.5]nonan-6-yl)pyrimidin-2-yl]imidazo[1,2-a]pyridine
PubChem CID139344741
Molecular FormulaC18H19ClN6
Molecular Weight354.85 g/mol
Exact Mass354.14
IUPAC Name6-chloro-3-[4-(2,6-diazaspiro[3.5]nonan-6-yl)pyrimidin-2-yl]imidazo[1,2-a]pyridine
SMILESClc1ccc2ncc(-c3nccc(N4CCCC5(CNC5)C4)n3)n2c1
InChIInChI=1S/C18H19ClN6/c19-13-2-3-15-22-8-14(25(15)9-13)17-21-6-4-16(23-17)24-7-1-5-18(12-24)10-20-11-18/h2-4,6,8-9,20H,1,5,7,10-12H2
InChIKeyBDEDPADMCIMXRG-UHFFFAOYSA-N
XLogP2.63
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.85
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[4-(2,6-diazaspiro[3.5]nonan-6-yl)pyrimidin-2-yl]imidazo[1,2-a]pyridine?
The IUPAC name of 6-chloro-3-[4-(2,6-diazaspiro[3.5]nonan-6-yl)pyrimidin-2-yl]imidazo[1,2-a]pyridine (CID 139344741) is 6-chloro-3-[4-(2,6-diazaspiro[3.5]nonan-6-yl)pyrimidin-2-yl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 6-chloro-3-[4-(2,6-diazaspiro[3.5]nonan-6-yl)pyrimidin-2-yl]imidazo[1,2-a]pyridine?
The canonical SMILES for 6-chloro-3-[4-(2,6-diazaspiro[3.5]nonan-6-yl)pyrimidin-2-yl]imidazo[1,2-a]pyridine is Clc1ccc2ncc(-c3nccc(N4CCCC5(CNC5)C4)n3)n2c1.
What is the InChIKey of 6-chloro-3-[4-(2,6-diazaspiro[3.5]nonan-6-yl)pyrimidin-2-yl]imidazo[1,2-a]pyridine?
The InChIKey is BDEDPADMCIMXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN6/c19-13-2-3-15-22-8-14(25(15)9-13)17-21-6-4-16(23-17)24-7-1-5-18(12-24)10-20-11-18/h2-4,6,8-9,20H,1,5,7,10-12H2.
What are the key properties of 6-chloro-3-[4-(2,6-diazaspiro[3.5]nonan-6-yl)pyrimidin-2-yl]imidazo[1,2-a]pyridine?
6-chloro-3-[4-(2,6-diazaspiro[3.5]nonan-6-yl)pyrimidin-2-yl]imidazo[1,2-a]pyridine has a molecular weight of 354.85 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[4-(2,6-diazaspiro[3.5]nonan-6-yl)pyrimidin-2-yl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 139344741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).