3-chloro-4-[5-(2,7-diazaspiro[3.5]nonan-7-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanylpyridin-2-amine

C18H20ClN7S — CID 138689159

IUPAC3-chloro-4-[5-(2,7-diazaspiro[3.5]nonan-7-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanylpyridin-2-amine
SMILESNc1nccc(Sc2cnc(N3CCC4(CC3)CNC4)n3ccnc23)c1Cl
InChIInChI=1S/C18H20ClN7S/c19-14-12(1-4-22-15(14)20)27-13-9-24-17(26-8-5-23-16(13)26)25-6-2-18(3-7-25)10-21-11-18/h1,4-5,8-9,21H,2-3,6-7,10-11H2,(H2,20,22)
InChIKeyXVHSDPUUSNUCLD-UHFFFAOYSA-N
MW401.93 g/mol
LogP2.70
Rot. Bonds3

About 3-chloro-4-[5-(2,7-diazaspiro[3.5]nonan-7-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanylpyridin-2-amine

3-chloro-4-[5-(2,7-diazaspiro[3.5]nonan-7-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanylpyridin-2-amine (PubChem CID 138689159) has the molecular formula C18H20ClN7S and a molecular weight of 401.93 g/mol. Its IUPAC name is 3-chloro-4-[5-(2,7-diazaspiro[3.5]nonan-7-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanylpyridin-2-amine.

Molecular Properties

Compound Name3-chloro-4-[5-(2,7-diazaspiro[3.5]nonan-7-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanylpyridin-2-amine
PubChem CID138689159
Molecular FormulaC18H20ClN7S
Molecular Weight401.93 g/mol
Exact Mass401.12
IUPAC Name3-chloro-4-[5-(2,7-diazaspiro[3.5]nonan-7-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanylpyridin-2-amine
SMILESNc1nccc(Sc2cnc(N3CCC4(CC3)CNC4)n3ccnc23)c1Cl
InChIInChI=1S/C18H20ClN7S/c19-14-12(1-4-22-15(14)20)27-13-9-24-17(26-8-5-23-16(13)26)25-6-2-18(3-7-25)10-21-11-18/h1,4-5,8-9,21H,2-3,6-7,10-11H2,(H2,20,22)
InChIKeyXVHSDPUUSNUCLD-UHFFFAOYSA-N
XLogP2.70
TPSA84.37 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.93
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

US10301278, Example 42
CID 118239411
(4R)-8-[8-[3-(trifluoromethyl)pyridin-4-yl]sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine
CID 139427701
(R)-8-(8-((3-chloro-2-fluoropyridin-4-yl)thio)imidazo[1,2-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-1-amine
CID 139427716
US11179397, Example 53
CID 146466864
(4R)-8-[8-(6-amino-2,3-dichloropyridin-4-yl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-2,2-difluoro-8-azaspiro[4.5]decan-4-amine
CID 153334931
(4R)-8-[8-(6-amino-3-chloro-2-methylpyridin-4-yl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-2,2-difluoro-8-azaspiro[4.5]decan-4-amine
CID 153334932
US11179397, Example 31
CID 139427543
US10301278, Example 50
CID 118249048
4-((4-(4-Amino-4-methylpiperidin-1-yl)-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl)thio)-3-chloropyridin-2-amine
CID 135241274
6-Chloro-3-[4-(2,6-diazaspiro[3.5]nonan-6-yl)pyrimidin-2-yl]imidazo[1,2-a]pyridine
CID 139344741
(S)-8-(8-((2,3-dichloropyridin-4-yl)thio)imidazo[1,2-c]pyrimidin-5-yl)-2-oxa-8-azaspiro[4.5]decan-4-amine
CID 139427310
(R)-8-(8-((3-chloropyridin-4-yl)thio)-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-1-amine
CID 139427321

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[5-(2,7-diazaspiro[3.5]nonan-7-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanylpyridin-2-amine?
The IUPAC name of 3-chloro-4-[5-(2,7-diazaspiro[3.5]nonan-7-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanylpyridin-2-amine (CID 138689159) is 3-chloro-4-[5-(2,7-diazaspiro[3.5]nonan-7-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanylpyridin-2-amine.
What is the SMILES notation for 3-chloro-4-[5-(2,7-diazaspiro[3.5]nonan-7-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanylpyridin-2-amine?
The canonical SMILES for 3-chloro-4-[5-(2,7-diazaspiro[3.5]nonan-7-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanylpyridin-2-amine is Nc1nccc(Sc2cnc(N3CCC4(CC3)CNC4)n3ccnc23)c1Cl.
What is the InChIKey of 3-chloro-4-[5-(2,7-diazaspiro[3.5]nonan-7-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanylpyridin-2-amine?
The InChIKey is XVHSDPUUSNUCLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN7S/c19-14-12(1-4-22-15(14)20)27-13-9-24-17(26-8-5-23-16(13)26)25-6-2-18(3-7-25)10-21-11-18/h1,4-5,8-9,21H,2-3,6-7,10-11H2,(H2,20,22).
What are the key properties of 3-chloro-4-[5-(2,7-diazaspiro[3.5]nonan-7-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanylpyridin-2-amine?
3-chloro-4-[5-(2,7-diazaspiro[3.5]nonan-7-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanylpyridin-2-amine has a molecular weight of 401.93 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[5-(2,7-diazaspiro[3.5]nonan-7-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanylpyridin-2-amine is sourced from PubChem (CID 138689159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).