(3R)-1-[[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]amino]cyclopentane-1,3-diol

C16H17ClN6O2S — CID 155447999

IUPAC(3R)-1-[[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]amino]cyclopentane-1,3-diol
SMILESNc1nccc(Sc2cnc(NC3(O)CC[C@@H](O)C3)n3ccnc23)c1Cl
InChIInChI=1S/C16H17ClN6O2S/c17-12-10(2-4-19-13(12)18)26-11-8-21-15(23-6-5-20-14(11)23)22-16(25)3-1-9(24)7-16/h2,4-6,8-9,24-25H,1,3,7H2,(H2,18,19)(H,21,22)/t9-,16?/m1/s1
InChIKeyLXDOJDMGUUCXSR-MGFKIWBESA-N
MW392.87 g/mol
LogP2.16
Rot. Bonds4

About (3R)-1-[[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]amino]cyclopentane-1,3-diol

(3R)-1-[[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]amino]cyclopentane-1,3-diol (PubChem CID 155447999) has the molecular formula C16H17ClN6O2S and a molecular weight of 392.87 g/mol. Its IUPAC name is (3R)-1-[[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]amino]cyclopentane-1,3-diol.

Molecular Properties

Compound Name(3R)-1-[[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]amino]cyclopentane-1,3-diol
PubChem CID155447999
Molecular FormulaC16H17ClN6O2S
Molecular Weight392.87 g/mol
Exact Mass392.08
IUPAC Name(3R)-1-[[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]amino]cyclopentane-1,3-diol
SMILESNc1nccc(Sc2cnc(NC3(O)CC[C@@H](O)C3)n3ccnc23)c1Cl
InChIInChI=1S/C16H17ClN6O2S/c17-12-10(2-4-19-13(12)18)26-11-8-21-15(23-6-5-20-14(11)23)22-16(25)3-1-9(24)7-16/h2,4-6,8-9,24-25H,1,3,7H2,(H2,18,19)(H,21,22)/t9-,16?/m1/s1
InChIKeyLXDOJDMGUUCXSR-MGFKIWBESA-N
XLogP2.16
TPSA121.59 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.87
LogP ≤ 52.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (3R)-1-[[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]amino]cyclopentane-1,3-diol with MolForge

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Related Compounds

1-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]azetidin-3-ol
CID 155448000
N'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]ethane-1,2-diamine
CID 154636583
3-chloro-4-[5-(3-methyl-8-azaspiro[4.5]decan-8-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanylpyridin-2-amine
CID 139427326
3-chloro-4-(5-spiro[5,7-dihydrocyclopenta[b]pyrazine-6,4'-piperidine]-1'-ylimidazo[1,2-c]pyrimidin-8-yl)sulfanylpyridin-2-amine
CID 155129621
3-chloro-4-(5-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylimidazo[1,2-c]pyrimidin-8-yl)sulfanylpyridin-2-amine
CID 146482706
3-chloro-4-[5-[(1S,5R)-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanylpyridin-2-amine
CID 170184863
[(2S)-1-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]pyrrolidin-2-yl]methanol;sulfane
CID 158816989
(5S)-2-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-1,3,4,5-tetrahydro-2-benzazepin-5-amine
CID 175728623
(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
CID 174094860
CID 174094860
(5S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-4-deuteriospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine
CID 169008435
9-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3-ethylsulfonyl-3,9-diazaspiro[5.5]undecan-5-amine
CID 171782764

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]amino]cyclopentane-1,3-diol?
The IUPAC name of (3R)-1-[[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]amino]cyclopentane-1,3-diol (CID 155447999) is (3R)-1-[[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]amino]cyclopentane-1,3-diol.
What is the SMILES notation for (3R)-1-[[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]amino]cyclopentane-1,3-diol?
The canonical SMILES for (3R)-1-[[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]amino]cyclopentane-1,3-diol is Nc1nccc(Sc2cnc(NC3(O)CC[C@@H](O)C3)n3ccnc23)c1Cl.
What is the InChIKey of (3R)-1-[[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]amino]cyclopentane-1,3-diol?
The InChIKey is LXDOJDMGUUCXSR-MGFKIWBESA-N. The full InChI is InChI=1S/C16H17ClN6O2S/c17-12-10(2-4-19-13(12)18)26-11-8-21-15(23-6-5-20-14(11)23)22-16(25)3-1-9(24)7-16/h2,4-6,8-9,24-25H,1,3,7H2,(H2,18,19)(H,21,22)/t9-,16?/m1/s1.
What are the key properties of (3R)-1-[[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]amino]cyclopentane-1,3-diol?
(3R)-1-[[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]amino]cyclopentane-1,3-diol has a molecular weight of 392.87 g/mol, XLogP of 2.16, 4 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]amino]cyclopentane-1,3-diol is sourced from PubChem (CID 155447999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).