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

C20H23Cl2N7S — CID 139427661

IUPAC(4R)-8-[8-[(6-amino-2,3-dichloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine
SMILESNc1cc(Sc2cnc(N3CCC4(CCC[C@H]4N)CC3)n3ccnc23)c(Cl)c(Cl)n1
InChIInChI=1S/C20H23Cl2N7S/c21-16-12(10-15(24)27-17(16)22)30-13-11-26-19(29-9-6-25-18(13)29)28-7-4-20(5-8-28)3-1-2-14(20)23/h6,9-11,14H,1-5,7-8,23H2,(H2,24,27)/t14-/m1/s1
InChIKeyOXORHIUSUONRQJ-CQSZACIVSA-N
MW464.43 g/mol
LogP4.26
Rot. Bonds3

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

(4R)-8-[8-[(6-amino-2,3-dichloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine (PubChem CID 139427661) has the molecular formula C20H23Cl2N7S and a molecular weight of 464.43 g/mol. Its IUPAC name is (4R)-8-[8-[(6-amino-2,3-dichloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine.

Molecular Properties

Compound Name(4R)-8-[8-[(6-amino-2,3-dichloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine
PubChem CID139427661
Molecular FormulaC20H23Cl2N7S
Molecular Weight464.43 g/mol
Exact Mass463.11
IUPAC Name(4R)-8-[8-[(6-amino-2,3-dichloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine
SMILESNc1cc(Sc2cnc(N3CCC4(CCC[C@H]4N)CC3)n3ccnc23)c(Cl)c(Cl)n1
InChIInChI=1S/C20H23Cl2N7S/c21-16-12(10-15(24)27-17(16)22)30-13-11-26-19(29-9-6-25-18(13)29)28-7-4-20(5-8-28)3-1-2-14(20)23/h6,9-11,14H,1-5,7-8,23H2,(H2,24,27)/t14-/m1/s1
InChIKeyOXORHIUSUONRQJ-CQSZACIVSA-N
XLogP4.26
TPSA98.36 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.43
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze (4R)-8-[8-[(6-amino-2,3-dichloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-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-2,3-dichloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine?
The IUPAC name of (4R)-8-[8-[(6-amino-2,3-dichloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine (CID 139427661) is (4R)-8-[8-[(6-amino-2,3-dichloro-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-[(6-amino-2,3-dichloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine?
The canonical SMILES for (4R)-8-[8-[(6-amino-2,3-dichloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine is Nc1cc(Sc2cnc(N3CCC4(CCC[C@H]4N)CC3)n3ccnc23)c(Cl)c(Cl)n1.
What is the InChIKey of (4R)-8-[8-[(6-amino-2,3-dichloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine?
The InChIKey is OXORHIUSUONRQJ-CQSZACIVSA-N. The full InChI is InChI=1S/C20H23Cl2N7S/c21-16-12(10-15(24)27-17(16)22)30-13-11-26-19(29-9-6-25-18(13)29)28-7-4-20(5-8-28)3-1-2-14(20)23/h6,9-11,14H,1-5,7-8,23H2,(H2,24,27)/t14-/m1/s1.
What are the key properties of (4R)-8-[8-[(6-amino-2,3-dichloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine?
(4R)-8-[8-[(6-amino-2,3-dichloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine has a molecular weight of 464.43 g/mol, XLogP of 4.26, 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-2,3-dichloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine is sourced from PubChem (CID 139427661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).