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

C20H23ClN6S — CID 139427527

IUPAC(4R)-8-[8-[(3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine
SMILESN[C@@H]1CCCC12CCN(c1ncc(Sc3ccncc3Cl)c3nccn13)CC2
InChIInChI=1S/C20H23ClN6S/c21-14-12-23-7-3-15(14)28-16-13-25-19(27-11-8-24-18(16)27)26-9-5-20(6-10-26)4-1-2-17(20)22/h3,7-8,11-13,17H,1-2,4-6,9-10,22H2/t17-/m1/s1
InChIKeyYRAMIRVZEZLUSS-QGZVFWFLSA-N
MW414.97 g/mol
LogP4.03
Rot. Bonds3

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

(4R)-8-[8-[(3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine (PubChem CID 139427527) has the molecular formula C20H23ClN6S and a molecular weight of 414.97 g/mol. Its IUPAC name is (4R)-8-[8-[(3-chloro-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-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine
PubChem CID139427527
Molecular FormulaC20H23ClN6S
Molecular Weight414.97 g/mol
Exact Mass414.14
IUPAC Name(4R)-8-[8-[(3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine
SMILESN[C@@H]1CCCC12CCN(c1ncc(Sc3ccncc3Cl)c3nccn13)CC2
InChIInChI=1S/C20H23ClN6S/c21-14-12-23-7-3-15(14)28-16-13-25-19(27-11-8-24-18(16)27)26-9-5-20(6-10-26)4-1-2-17(20)22/h3,7-8,11-13,17H,1-2,4-6,9-10,22H2/t17-/m1/s1
InChIKeyYRAMIRVZEZLUSS-QGZVFWFLSA-N
XLogP4.03
TPSA72.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.97
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (4R)-8-[8-[(3-chloro-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-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-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine (CID 139427527) is (4R)-8-[8-[(3-chloro-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-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-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine is N[C@@H]1CCCC12CCN(c1ncc(Sc3ccncc3Cl)c3nccn13)CC2.
What is the InChIKey of (4R)-8-[8-[(3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine?
The InChIKey is YRAMIRVZEZLUSS-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H23ClN6S/c21-14-12-23-7-3-15(14)28-16-13-25-19(27-11-8-24-18(16)27)26-9-5-20(6-10-26)4-1-2-17(20)22/h3,7-8,11-13,17H,1-2,4-6,9-10,22H2/t17-/m1/s1.
What are the key properties of (4R)-8-[8-[(3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine?
(4R)-8-[8-[(3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine has a molecular weight of 414.97 g/mol, XLogP of 4.03, 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-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine is sourced from PubChem (CID 139427527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).