(4R)-8-[8-[(2,3-dimethyl-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine

C22H28N6S — CID 146466871

IUPAC(4R)-8-[8-[(2,3-dimethyl-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine
SMILESCc1nccc(Sc2cnc(N3CCC4(CCC[C@H]4N)CC3)n3ccnc23)c1C
InChIInChI=1S/C22H28N6S/c1-15-16(2)24-9-5-17(15)29-18-14-26-21(28-13-10-25-20(18)28)27-11-7-22(8-12-27)6-3-4-19(22)23/h5,9-10,13-14,19H,3-4,6-8,11-12,23H2,1-2H3/t19-/m1/s1
InChIKeyHREDCTOOUQAQMR-LJQANCHMSA-N
MW408.58 g/mol
LogP3.99
Rot. Bonds3

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

(4R)-8-[8-[(2,3-dimethyl-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine (PubChem CID 146466871) has the molecular formula C22H28N6S and a molecular weight of 408.58 g/mol. Its IUPAC name is (4R)-8-[8-[(2,3-dimethyl-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine.

Molecular Properties

Compound Name(4R)-8-[8-[(2,3-dimethyl-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine
PubChem CID146466871
Molecular FormulaC22H28N6S
Molecular Weight408.58 g/mol
Exact Mass408.21
IUPAC Name(4R)-8-[8-[(2,3-dimethyl-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine
SMILESCc1nccc(Sc2cnc(N3CCC4(CCC[C@H]4N)CC3)n3ccnc23)c1C
InChIInChI=1S/C22H28N6S/c1-15-16(2)24-9-5-17(15)29-18-14-26-21(28-13-10-25-20(18)28)27-11-7-22(8-12-27)6-3-4-19(22)23/h5,9-10,13-14,19H,3-4,6-8,11-12,23H2,1-2H3/t19-/m1/s1
InChIKeyHREDCTOOUQAQMR-LJQANCHMSA-N
XLogP3.99
TPSA72.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.58
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (4R)-8-[8-[(2,3-dimethyl-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine?
The IUPAC name of (4R)-8-[8-[(2,3-dimethyl-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine (CID 146466871) is (4R)-8-[8-[(2,3-dimethyl-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine.
What is the SMILES notation for (4R)-8-[8-[(2,3-dimethyl-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine?
The canonical SMILES for (4R)-8-[8-[(2,3-dimethyl-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine is Cc1nccc(Sc2cnc(N3CCC4(CCC[C@H]4N)CC3)n3ccnc23)c1C.
What is the InChIKey of (4R)-8-[8-[(2,3-dimethyl-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine?
The InChIKey is HREDCTOOUQAQMR-LJQANCHMSA-N. The full InChI is InChI=1S/C22H28N6S/c1-15-16(2)24-9-5-17(15)29-18-14-26-21(28-13-10-25-20(18)28)27-11-7-22(8-12-27)6-3-4-19(22)23/h5,9-10,13-14,19H,3-4,6-8,11-12,23H2,1-2H3/t19-/m1/s1.
What are the key properties of (4R)-8-[8-[(2,3-dimethyl-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine?
(4R)-8-[8-[(2,3-dimethyl-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine has a molecular weight of 408.58 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-8-[8-[(2,3-dimethyl-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine is sourced from PubChem (CID 146466871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).