(4R)-8-[8-[(6-amino-3-chloro-2-methyl-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-2,2-difluoro-8-azaspiro[4.5]decan-4-amine

C21H24ClF2N7S — CID 153334932

IUPAC(4R)-8-[8-[(6-amino-3-chloro-2-methyl-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-2,2-difluoro-8-azaspiro[4.5]decan-4-amine
SMILESCc1nc(N)cc(Sc2cnc(N3CCC4(CC3)CC(F)(F)C[C@H]4N)n3ccnc23)c1Cl
InChIInChI=1S/C21H24ClF2N7S/c1-12-17(22)13(8-16(26)29-12)32-14-10-28-19(31-7-4-27-18(14)31)30-5-2-20(3-6-30)11-21(23,24)9-15(20)25/h4,7-8,10,15H,2-3,5-6,9,11,25H2,1H3,(H2,26,29)/t15-/m1/s1
InChIKeyVBBAGKFQBSDPOC-OAHLLOKOSA-N
MW479.99 g/mol
LogP4.16
Rot. Bonds3

About (4R)-8-[8-[(6-amino-3-chloro-2-methyl-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-2,2-difluoro-8-azaspiro[4.5]decan-4-amine

(4R)-8-[8-[(6-amino-3-chloro-2-methyl-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-2,2-difluoro-8-azaspiro[4.5]decan-4-amine (PubChem CID 153334932) has the molecular formula C21H24ClF2N7S and a molecular weight of 479.99 g/mol. Its IUPAC name is (4R)-8-[8-[(6-amino-3-chloro-2-methyl-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-2,2-difluoro-8-azaspiro[4.5]decan-4-amine.

Molecular Properties

Compound Name(4R)-8-[8-[(6-amino-3-chloro-2-methyl-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-2,2-difluoro-8-azaspiro[4.5]decan-4-amine
PubChem CID153334932
Molecular FormulaC21H24ClF2N7S
Molecular Weight479.99 g/mol
Exact Mass479.15
IUPAC Name(4R)-8-[8-[(6-amino-3-chloro-2-methyl-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-2,2-difluoro-8-azaspiro[4.5]decan-4-amine
SMILESCc1nc(N)cc(Sc2cnc(N3CCC4(CC3)CC(F)(F)C[C@H]4N)n3ccnc23)c1Cl
InChIInChI=1S/C21H24ClF2N7S/c1-12-17(22)13(8-16(26)29-12)32-14-10-28-19(31-7-4-27-18(14)31)30-5-2-20(3-6-30)11-21(23,24)9-15(20)25/h4,7-8,10,15H,2-3,5-6,9,11,25H2,1H3,(H2,26,29)/t15-/m1/s1
InChIKeyVBBAGKFQBSDPOC-OAHLLOKOSA-N
XLogP4.16
TPSA98.36 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.99
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (4R)-8-[8-[(6-amino-3-chloro-2-methyl-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-2,2-difluoro-8-azaspiro[4.5]decan-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4R)-8-[8-[(6-amino-3-chloro-2-methyl-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-2,2-difluoro-8-azaspiro[4.5]decan-4-amine?
The IUPAC name of (4R)-8-[8-[(6-amino-3-chloro-2-methyl-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-2,2-difluoro-8-azaspiro[4.5]decan-4-amine (CID 153334932) is (4R)-8-[8-[(6-amino-3-chloro-2-methyl-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-2,2-difluoro-8-azaspiro[4.5]decan-4-amine.
What is the SMILES notation for (4R)-8-[8-[(6-amino-3-chloro-2-methyl-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-2,2-difluoro-8-azaspiro[4.5]decan-4-amine?
The canonical SMILES for (4R)-8-[8-[(6-amino-3-chloro-2-methyl-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-2,2-difluoro-8-azaspiro[4.5]decan-4-amine is Cc1nc(N)cc(Sc2cnc(N3CCC4(CC3)CC(F)(F)C[C@H]4N)n3ccnc23)c1Cl.
What is the InChIKey of (4R)-8-[8-[(6-amino-3-chloro-2-methyl-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-2,2-difluoro-8-azaspiro[4.5]decan-4-amine?
The InChIKey is VBBAGKFQBSDPOC-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H24ClF2N7S/c1-12-17(22)13(8-16(26)29-12)32-14-10-28-19(31-7-4-27-18(14)31)30-5-2-20(3-6-30)11-21(23,24)9-15(20)25/h4,7-8,10,15H,2-3,5-6,9,11,25H2,1H3,(H2,26,29)/t15-/m1/s1.
What are the key properties of (4R)-8-[8-[(6-amino-3-chloro-2-methyl-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-2,2-difluoro-8-azaspiro[4.5]decan-4-amine?
(4R)-8-[8-[(6-amino-3-chloro-2-methyl-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-2,2-difluoro-8-azaspiro[4.5]decan-4-amine has a molecular weight of 479.99 g/mol, XLogP of 4.16, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-8-[8-[(6-amino-3-chloro-2-methyl-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-2,2-difluoro-8-azaspiro[4.5]decan-4-amine is sourced from PubChem (CID 153334932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).