(3S,4R)-3-amino-1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidin-4-ol

C16H17ClN6O — CID 139357007

IUPAC(3S,4R)-3-amino-1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidin-4-ol
SMILESN[C@H]1CN(c2ccnc(-c3cnc4ccc(Cl)cn34)n2)CC[C@H]1O
InChIInChI=1S/C16H17ClN6O/c17-10-1-2-14-20-7-12(23(14)8-10)16-19-5-3-15(21-16)22-6-4-13(24)11(18)9-22/h1-3,5,7-8,11,13,24H,4,6,9,18H2/t11-,13+/m0/s1
InChIKeyUFTJYKDYELGGHZ-WCQYABFASA-N
MW344.81 g/mol
LogP1.34
Rot. Bonds2

About (3S,4R)-3-amino-1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidin-4-ol

(3S,4R)-3-amino-1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidin-4-ol (PubChem CID 139357007) has the molecular formula C16H17ClN6O and a molecular weight of 344.81 g/mol. Its IUPAC name is (3S,4R)-3-amino-1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidin-4-ol.

Molecular Properties

Compound Name(3S,4R)-3-amino-1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidin-4-ol
PubChem CID139357007
Molecular FormulaC16H17ClN6O
Molecular Weight344.81 g/mol
Exact Mass344.12
IUPAC Name(3S,4R)-3-amino-1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidin-4-ol
SMILESN[C@H]1CN(c2ccnc(-c3cnc4ccc(Cl)cn34)n2)CC[C@H]1O
InChIInChI=1S/C16H17ClN6O/c17-10-1-2-14-20-7-12(23(14)8-10)16-19-5-3-15(21-16)22-6-4-13(24)11(18)9-22/h1-3,5,7-8,11,13,24H,4,6,9,18H2/t11-,13+/m0/s1
InChIKeyUFTJYKDYELGGHZ-WCQYABFASA-N
XLogP1.34
TPSA92.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.81
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (3S,4R)-3-amino-1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidin-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 139344807
(3R,5R)-1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-5-methylpiperidin-3-amine
CID 139344427
(E)-2-[4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]morpholin-2-yl]-3-iminoprop-1-en-1-amine
CID 153331529
(3S)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-amine
CID 139343435
[1-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-3-phenylpiperidin-4-yl]methanol
CID 139344346
(3S)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide
CID 139358253
1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide
CID 139357749
(2S)-4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-methylmorpholine;(Z)-N-ethenoxy-3-methylbutan-2-imine
CID 153331546
1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-4-ol
CID 139358662
(2R,6S)-4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-(5-fluoro-1H-pyrazol-4-yl)-6-methylmorpholine
CID 139344691
(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide
CID 139344396
4-(3-aminopyrrolidin-1-yl)-N-[(6-chloroimidazo[1,2-a]pyridin-3-yl)methyl]-N-methylpyrimidin-2-amine
CID 166302171

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-amino-1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidin-4-ol?
The IUPAC name of (3S,4R)-3-amino-1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidin-4-ol (CID 139357007) is (3S,4R)-3-amino-1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidin-4-ol.
What is the SMILES notation for (3S,4R)-3-amino-1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidin-4-ol?
The canonical SMILES for (3S,4R)-3-amino-1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidin-4-ol is N[C@H]1CN(c2ccnc(-c3cnc4ccc(Cl)cn34)n2)CC[C@H]1O.
What is the InChIKey of (3S,4R)-3-amino-1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidin-4-ol?
The InChIKey is UFTJYKDYELGGHZ-WCQYABFASA-N. The full InChI is InChI=1S/C16H17ClN6O/c17-10-1-2-14-20-7-12(23(14)8-10)16-19-5-3-15(21-16)22-6-4-13(24)11(18)9-22/h1-3,5,7-8,11,13,24H,4,6,9,18H2/t11-,13+/m0/s1.
What are the key properties of (3S,4R)-3-amino-1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidin-4-ol?
(3S,4R)-3-amino-1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidin-4-ol has a molecular weight of 344.81 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-amino-1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidin-4-ol is sourced from PubChem (CID 139357007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).