N-[3-[5-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanyl-2-chlorophenyl]prop-2-enamide

C24H27ClN6OS — CID 139427329

IUPACN-[3-[5-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanyl-2-chlorophenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cccc(Sc2cnc(N3CCC4(CCC[C@H]4N)CC3)n3ccnc23)c1Cl
InChIInChI=1S/C24H27ClN6OS/c1-2-20(32)29-16-5-3-6-17(21(16)25)33-18-15-28-23(31-14-11-27-22(18)31)30-12-9-24(10-13-30)8-4-7-19(24)26/h2-3,5-6,11,14-15,19H,1,4,7-10,12-13,26H2,(H,29,32)/t19-/m1/s1
InChIKeyVNGUIRGUYKTODY-LJQANCHMSA-N
MW483.04 g/mol
LogP4.76
Rot. Bonds5

About N-[3-[5-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanyl-2-chlorophenyl]prop-2-enamide

N-[3-[5-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanyl-2-chlorophenyl]prop-2-enamide (PubChem CID 139427329) has the molecular formula C24H27ClN6OS and a molecular weight of 483.04 g/mol. Its IUPAC name is N-[3-[5-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanyl-2-chlorophenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[3-[5-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanyl-2-chlorophenyl]prop-2-enamide
PubChem CID139427329
Molecular FormulaC24H27ClN6OS
Molecular Weight483.04 g/mol
Exact Mass482.17
IUPAC NameN-[3-[5-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanyl-2-chlorophenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cccc(Sc2cnc(N3CCC4(CCC[C@H]4N)CC3)n3ccnc23)c1Cl
InChIInChI=1S/C24H27ClN6OS/c1-2-20(32)29-16-5-3-6-17(21(16)25)33-18-15-28-23(31-14-11-27-22(18)31)30-12-9-24(10-13-30)8-4-7-19(24)26/h2-3,5-6,11,14-15,19H,1,4,7-10,12-13,26H2,(H,29,32)/t19-/m1/s1
InChIKeyVNGUIRGUYKTODY-LJQANCHMSA-N
XLogP4.76
TPSA88.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.04
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[3-[5-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanyl-2-chlorophenyl]prop-2-enamide with MolForge

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Related Compounds

(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
(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
(1R)-8-(8-((2-amino-3-chloropyridin-4-yl)thio)imidazo[1,2-c]pyrimidin-5-yl)-3-methyl-8-azaspiro[4.5]decan-1-amine
CID 139427324
US11179397, Example 45
CID 139427331
(R)-N-(3-((5-(1-amino-8-azaspiro[4.5]decan-8-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl)thio)-2-chlorophenyl)acrylamide
CID 139427413
(R)-8-(8-((3-amino-2-chlorophenyl)thio)-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-1-amine
CID 139427421
(R)-8-(8-((3-chloro-2-(dimethylamino)pyridin-4-yl)thio)imidazo[1,2-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-1-amine
CID 139427498
US11179397, Example 44
CID 139427505
(R)-8-(8-((3-chloropyridin-4-yl)thio)imidazo[1,2-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-1-amine
CID 139427527
(R)-8-(8-((2-chloropyridin-3-yl)thio)imidazo[1,2-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-1-amine
CID 139427534
(R)-8-(8-((6-amino-2,3-dichloropyridin-4-yl)thio)imidazo[1,2-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-1-amine
CID 139427661

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanyl-2-chlorophenyl]prop-2-enamide?
The IUPAC name of N-[3-[5-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanyl-2-chlorophenyl]prop-2-enamide (CID 139427329) is N-[3-[5-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanyl-2-chlorophenyl]prop-2-enamide.
What is the SMILES notation for N-[3-[5-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanyl-2-chlorophenyl]prop-2-enamide?
The canonical SMILES for N-[3-[5-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanyl-2-chlorophenyl]prop-2-enamide is C=CC(=O)Nc1cccc(Sc2cnc(N3CCC4(CCC[C@H]4N)CC3)n3ccnc23)c1Cl.
What is the InChIKey of N-[3-[5-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanyl-2-chlorophenyl]prop-2-enamide?
The InChIKey is VNGUIRGUYKTODY-LJQANCHMSA-N. The full InChI is InChI=1S/C24H27ClN6OS/c1-2-20(32)29-16-5-3-6-17(21(16)25)33-18-15-28-23(31-14-11-27-22(18)31)30-12-9-24(10-13-30)8-4-7-19(24)26/h2-3,5-6,11,14-15,19H,1,4,7-10,12-13,26H2,(H,29,32)/t19-/m1/s1.
What are the key properties of N-[3-[5-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanyl-2-chlorophenyl]prop-2-enamide?
N-[3-[5-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanyl-2-chlorophenyl]prop-2-enamide has a molecular weight of 483.04 g/mol, XLogP of 4.76, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanyl-2-chlorophenyl]prop-2-enamide is sourced from PubChem (CID 139427329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).