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

C20H24ClN7S — CID 139427331

IUPAC(4R)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine
SMILESNc1nccc(Sc2cnc(N3CCC4(CCC[C@H]4N)CC3)n3ccnc23)c1Cl
InChIInChI=1S/C20H24ClN7S/c21-16-13(3-7-24-17(16)23)29-14-12-26-19(28-11-8-25-18(14)28)27-9-5-20(6-10-27)4-1-2-15(20)22/h3,7-8,11-12,15H,1-2,4-6,9-10,22H2,(H2,23,24)/t15-/m1/s1
InChIKeyUVMMRSHTRMSXOQ-OAHLLOKOSA-N
MW429.98 g/mol
LogP3.61
Rot. Bonds3

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

(4R)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine (PubChem CID 139427331) has the molecular formula C20H24ClN7S and a molecular weight of 429.98 g/mol. Its IUPAC name is (4R)-8-[8-[(2-amino-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-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine
PubChem CID139427331
Molecular FormulaC20H24ClN7S
Molecular Weight429.98 g/mol
Exact Mass429.15
IUPAC Name(4R)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine
SMILESNc1nccc(Sc2cnc(N3CCC4(CCC[C@H]4N)CC3)n3ccnc23)c1Cl
InChIInChI=1S/C20H24ClN7S/c21-16-13(3-7-24-17(16)23)29-14-12-26-19(28-11-8-25-18(14)28)27-9-5-20(6-10-27)4-1-2-15(20)22/h3,7-8,11-12,15H,1-2,4-6,9-10,22H2,(H2,23,24)/t15-/m1/s1
InChIKeyUVMMRSHTRMSXOQ-OAHLLOKOSA-N
XLogP3.61
TPSA98.36 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.98
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (4R)-8-[8-[(2-amino-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-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine (CID 139427331) is (4R)-8-[8-[(2-amino-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-[(2-amino-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-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine is Nc1nccc(Sc2cnc(N3CCC4(CCC[C@H]4N)CC3)n3ccnc23)c1Cl.
What is the InChIKey of (4R)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine?
The InChIKey is UVMMRSHTRMSXOQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H24ClN7S/c21-16-13(3-7-24-17(16)23)29-14-12-26-19(28-11-8-25-18(14)28)27-9-5-20(6-10-27)4-1-2-15(20)22/h3,7-8,11-12,15H,1-2,4-6,9-10,22H2,(H2,23,24)/t15-/m1/s1.
What are the key properties of (4R)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine?
(4R)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine has a molecular weight of 429.98 g/mol, XLogP of 3.61, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine is sourced from PubChem (CID 139427331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).