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

C22H28ClN7S — CID 139427498

IUPAC(4R)-8-[8-[[3-chloro-2-(dimethylamino)-4-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine
SMILESCN(C)c1nccc(Sc2cnc(N3CCC4(CCC[C@H]4N)CC3)n3ccnc23)c1Cl
InChIInChI=1S/C22H28ClN7S/c1-28(2)20-18(23)15(5-9-25-20)31-16-14-27-21(30-13-10-26-19(16)30)29-11-7-22(8-12-29)6-3-4-17(22)24/h5,9-10,13-14,17H,3-4,6-8,11-12,24H2,1-2H3/t17-/m1/s1
InChIKeyIALXOHUJHIAKRK-QGZVFWFLSA-N
MW458.04 g/mol
LogP4.09
Rot. Bonds4

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

(4R)-8-[8-[[3-chloro-2-(dimethylamino)-4-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine (PubChem CID 139427498) has the molecular formula C22H28ClN7S and a molecular weight of 458.04 g/mol. Its IUPAC name is (4R)-8-[8-[[3-chloro-2-(dimethylamino)-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-(dimethylamino)-4-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine
PubChem CID139427498
Molecular FormulaC22H28ClN7S
Molecular Weight458.04 g/mol
Exact Mass457.18
IUPAC Name(4R)-8-[8-[[3-chloro-2-(dimethylamino)-4-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine
SMILESCN(C)c1nccc(Sc2cnc(N3CCC4(CCC[C@H]4N)CC3)n3ccnc23)c1Cl
InChIInChI=1S/C22H28ClN7S/c1-28(2)20-18(23)15(5-9-25-20)31-16-14-27-21(30-13-10-26-19(16)30)29-11-7-22(8-12-29)6-3-4-17(22)24/h5,9-10,13-14,17H,3-4,6-8,11-12,24H2,1-2H3/t17-/m1/s1
InChIKeyIALXOHUJHIAKRK-QGZVFWFLSA-N
XLogP4.09
TPSA75.58 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.04
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (4R)-8-[8-[[3-chloro-2-(dimethylamino)-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-(dimethylamino)-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-(dimethylamino)-4-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine (CID 139427498) is (4R)-8-[8-[[3-chloro-2-(dimethylamino)-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-(dimethylamino)-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-(dimethylamino)-4-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine is CN(C)c1nccc(Sc2cnc(N3CCC4(CCC[C@H]4N)CC3)n3ccnc23)c1Cl.
What is the InChIKey of (4R)-8-[8-[[3-chloro-2-(dimethylamino)-4-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine?
The InChIKey is IALXOHUJHIAKRK-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H28ClN7S/c1-28(2)20-18(23)15(5-9-25-20)31-16-14-27-21(30-13-10-26-19(16)30)29-11-7-22(8-12-29)6-3-4-17(22)24/h5,9-10,13-14,17H,3-4,6-8,11-12,24H2,1-2H3/t17-/m1/s1.
What are the key properties of (4R)-8-[8-[[3-chloro-2-(dimethylamino)-4-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine?
(4R)-8-[8-[[3-chloro-2-(dimethylamino)-4-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine has a molecular weight of 458.04 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-8-[8-[[3-chloro-2-(dimethylamino)-4-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine is sourced from PubChem (CID 139427498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).