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

C20H22ClFN6S — CID 139427716

IUPAC(4R)-8-[8-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine
SMILESN[C@@H]1CCCC12CCN(c1ncc(Sc3ccnc(F)c3Cl)c3nccn13)CC2
InChIInChI=1S/C20H22ClFN6S/c21-16-13(3-7-24-17(16)22)29-14-12-26-19(28-11-8-25-18(14)28)27-9-5-20(6-10-27)4-1-2-15(20)23/h3,7-8,11-12,15H,1-2,4-6,9-10,23H2/t15-/m1/s1
InChIKeyGFQQBNHDIPXPBE-OAHLLOKOSA-N
MW432.96 g/mol
LogP4.17
Rot. Bonds3

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

(4R)-8-[8-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine (PubChem CID 139427716) has the molecular formula C20H22ClFN6S and a molecular weight of 432.96 g/mol. Its IUPAC name is (4R)-8-[8-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine.

Molecular Properties

Compound Name(4R)-8-[8-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine
PubChem CID139427716
Molecular FormulaC20H22ClFN6S
Molecular Weight432.96 g/mol
Exact Mass432.13
IUPAC Name(4R)-8-[8-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine
SMILESN[C@@H]1CCCC12CCN(c1ncc(Sc3ccnc(F)c3Cl)c3nccn13)CC2
InChIInChI=1S/C20H22ClFN6S/c21-16-13(3-7-24-17(16)22)29-14-12-26-19(28-11-8-25-18(14)28)27-9-5-20(6-10-27)4-1-2-15(20)23/h3,7-8,11-12,15H,1-2,4-6,9-10,23H2/t15-/m1/s1
InChIKeyGFQQBNHDIPXPBE-OAHLLOKOSA-N
XLogP4.17
TPSA72.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.96
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4R)-8-[8-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine?
The IUPAC name of (4R)-8-[8-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine (CID 139427716) is (4R)-8-[8-[(3-chloro-2-fluoro-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-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine?
The canonical SMILES for (4R)-8-[8-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine is N[C@@H]1CCCC12CCN(c1ncc(Sc3ccnc(F)c3Cl)c3nccn13)CC2.
What is the InChIKey of (4R)-8-[8-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine?
The InChIKey is GFQQBNHDIPXPBE-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H22ClFN6S/c21-16-13(3-7-24-17(16)22)29-14-12-26-19(28-11-8-25-18(14)28)27-9-5-20(6-10-27)4-1-2-15(20)23/h3,7-8,11-12,15H,1-2,4-6,9-10,23H2/t15-/m1/s1.
What are the key properties of (4R)-8-[8-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine?
(4R)-8-[8-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine has a molecular weight of 432.96 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-8-[8-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine is sourced from PubChem (CID 139427716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).