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

C25H27ClN8S — CID 155591726

IUPAC(4S)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-2-phenyl-2,8-diazaspiro[4.5]decan-4-amine
SMILESNc1nccc(Sc2cnc(N3CCC4(CC3)CN(c3ccccc3)C[C@H]4N)n3ccnc23)c1Cl
InChIInChI=1S/C25H27ClN8S/c26-21-18(6-9-29-22(21)28)35-19-14-31-24(34-13-10-30-23(19)34)32-11-7-25(8-12-32)16-33(15-20(25)27)17-4-2-1-3-5-17/h1-6,9-10,13-14,20H,7-8,11-12,15-16,27H2,(H2,28,29)/t20-/m1/s1
InChIKeyRSUAUTHCQQZBTP-HXUWFJFHSA-N
MW507.07 g/mol
LogP3.95
Rot. Bonds4

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

(4S)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-2-phenyl-2,8-diazaspiro[4.5]decan-4-amine (PubChem CID 155591726) has the molecular formula C25H27ClN8S and a molecular weight of 507.07 g/mol. Its IUPAC name is (4S)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-2-phenyl-2,8-diazaspiro[4.5]decan-4-amine.

Molecular Properties

Compound Name(4S)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-2-phenyl-2,8-diazaspiro[4.5]decan-4-amine
PubChem CID155591726
Molecular FormulaC25H27ClN8S
Molecular Weight507.07 g/mol
Exact Mass506.18
IUPAC Name(4S)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-2-phenyl-2,8-diazaspiro[4.5]decan-4-amine
SMILESNc1nccc(Sc2cnc(N3CCC4(CC3)CN(c3ccccc3)C[C@H]4N)n3ccnc23)c1Cl
InChIInChI=1S/C25H27ClN8S/c26-21-18(6-9-29-22(21)28)35-19-14-31-24(34-13-10-30-23(19)34)32-11-7-25(8-12-32)16-33(15-20(25)27)17-4-2-1-3-5-17/h1-6,9-10,13-14,20H,7-8,11-12,15-16,27H2,(H2,28,29)/t20-/m1/s1
InChIKeyRSUAUTHCQQZBTP-HXUWFJFHSA-N
XLogP3.95
TPSA101.60 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.07
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze (4S)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-2-phenyl-2,8-diazaspiro[4.5]decan-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4S)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-2-phenyl-2,8-diazaspiro[4.5]decan-4-amine?
The IUPAC name of (4S)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-2-phenyl-2,8-diazaspiro[4.5]decan-4-amine (CID 155591726) is (4S)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-2-phenyl-2,8-diazaspiro[4.5]decan-4-amine.
What is the SMILES notation for (4S)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-2-phenyl-2,8-diazaspiro[4.5]decan-4-amine?
The canonical SMILES for (4S)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-2-phenyl-2,8-diazaspiro[4.5]decan-4-amine is Nc1nccc(Sc2cnc(N3CCC4(CC3)CN(c3ccccc3)C[C@H]4N)n3ccnc23)c1Cl.
What is the InChIKey of (4S)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-2-phenyl-2,8-diazaspiro[4.5]decan-4-amine?
The InChIKey is RSUAUTHCQQZBTP-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H27ClN8S/c26-21-18(6-9-29-22(21)28)35-19-14-31-24(34-13-10-30-23(19)34)32-11-7-25(8-12-32)16-33(15-20(25)27)17-4-2-1-3-5-17/h1-6,9-10,13-14,20H,7-8,11-12,15-16,27H2,(H2,28,29)/t20-/m1/s1.
What are the key properties of (4S)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-2-phenyl-2,8-diazaspiro[4.5]decan-4-amine?
(4S)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-2-phenyl-2,8-diazaspiro[4.5]decan-4-amine has a molecular weight of 507.07 g/mol, XLogP of 3.95, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-2-phenyl-2,8-diazaspiro[4.5]decan-4-amine is sourced from PubChem (CID 155591726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).