(3S,4S)-4-[(5-methylimidazo[1,2-a]pyridin-3-yl)methylamino]-3,4-dihydro-2H-chromen-3-ol

C18H19N3O2 — CID 167955439

IUPAC(3S,4S)-4-[(5-methylimidazo[1,2-a]pyridin-3-yl)methylamino]-3,4-dihydro-2H-chromen-3-ol
SMILESCc1cccc2ncc(CN[C@H]3c4ccccc4OC[C@H]3O)n12
InChIInChI=1S/C18H19N3O2/c1-12-5-4-8-17-19-9-13(21(12)17)10-20-18-14-6-2-3-7-16(14)23-11-15(18)22/h2-9,15,18,20,22H,10-11H2,1H3/t15-,18+/m1/s1
InChIKeyBFQYLTKMGCFRSR-QAPCUYQASA-N
MW309.37 g/mol
LogP2.23
Rot. Bonds3

About (3S,4S)-4-[(5-methylimidazo[1,2-a]pyridin-3-yl)methylamino]-3,4-dihydro-2H-chromen-3-ol

(3S,4S)-4-[(5-methylimidazo[1,2-a]pyridin-3-yl)methylamino]-3,4-dihydro-2H-chromen-3-ol (PubChem CID 167955439) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is (3S,4S)-4-[(5-methylimidazo[1,2-a]pyridin-3-yl)methylamino]-3,4-dihydro-2H-chromen-3-ol.

Molecular Properties

Compound Name(3S,4S)-4-[(5-methylimidazo[1,2-a]pyridin-3-yl)methylamino]-3,4-dihydro-2H-chromen-3-ol
PubChem CID167955439
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name(3S,4S)-4-[(5-methylimidazo[1,2-a]pyridin-3-yl)methylamino]-3,4-dihydro-2H-chromen-3-ol
SMILESCc1cccc2ncc(CN[C@H]3c4ccccc4OC[C@H]3O)n12
InChIInChI=1S/C18H19N3O2/c1-12-5-4-8-17-19-9-13(21(12)17)10-20-18-14-6-2-3-7-16(14)23-11-15(18)22/h2-9,15,18,20,22H,10-11H2,1H3/t15-,18+/m1/s1
InChIKeyBFQYLTKMGCFRSR-QAPCUYQASA-N
XLogP2.23
TPSA58.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[[(3S,4S)-3-hydroxy-3,4-dihydro-2H-chromen-4-yl]amino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile
CID 166355076
3-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 106369720
6-(aminomethyl)-N-[(5-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 166267489
3-methyl-N-[(3-methyl-4-pyridinyl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 114698615
3-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 104524257
N-propyl-3-propylsulfinyl-3,4-dihydro-2H-chromen-4-amine
CID 64651960
N-[(3-propylimidazol-4-yl)methyl]-2,3-dihydro-1-benzofuran-3-amine
CID 66130589
[(3R,4R)-4-[(3-methoxy-1,2-thiazol-5-yl)methylamino]-3,4-dihydro-2H-chromen-3-yl]methanol
CID 136586100
2-methyl-3-[[4-(propylamino)-3,4-dihydro-2H-chromen-3-yl]sulfanyl]propan-1-ol
CID 66102789
[2-(2,3-dihydro-1-benzofuran-3-yl)-5-methylpyrimidin-4-yl]methanol
CID 114245014
methyl 2-[[4-(ethylamino)-3,4-dihydro-2H-chromen-3-yl]sulfanyl]acetate
CID 64615419
3-(3-methylbutylsulfanyl)-N-propyl-3,4-dihydro-2H-chromen-4-amine
CID 107763958

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-[(5-methylimidazo[1,2-a]pyridin-3-yl)methylamino]-3,4-dihydro-2H-chromen-3-ol?
The IUPAC name of (3S,4S)-4-[(5-methylimidazo[1,2-a]pyridin-3-yl)methylamino]-3,4-dihydro-2H-chromen-3-ol (CID 167955439) is (3S,4S)-4-[(5-methylimidazo[1,2-a]pyridin-3-yl)methylamino]-3,4-dihydro-2H-chromen-3-ol.
What is the SMILES notation for (3S,4S)-4-[(5-methylimidazo[1,2-a]pyridin-3-yl)methylamino]-3,4-dihydro-2H-chromen-3-ol?
The canonical SMILES for (3S,4S)-4-[(5-methylimidazo[1,2-a]pyridin-3-yl)methylamino]-3,4-dihydro-2H-chromen-3-ol is Cc1cccc2ncc(CN[C@H]3c4ccccc4OC[C@H]3O)n12.
What is the InChIKey of (3S,4S)-4-[(5-methylimidazo[1,2-a]pyridin-3-yl)methylamino]-3,4-dihydro-2H-chromen-3-ol?
The InChIKey is BFQYLTKMGCFRSR-QAPCUYQASA-N. The full InChI is InChI=1S/C18H19N3O2/c1-12-5-4-8-17-19-9-13(21(12)17)10-20-18-14-6-2-3-7-16(14)23-11-15(18)22/h2-9,15,18,20,22H,10-11H2,1H3/t15-,18+/m1/s1.
What are the key properties of (3S,4S)-4-[(5-methylimidazo[1,2-a]pyridin-3-yl)methylamino]-3,4-dihydro-2H-chromen-3-ol?
(3S,4S)-4-[(5-methylimidazo[1,2-a]pyridin-3-yl)methylamino]-3,4-dihydro-2H-chromen-3-ol has a molecular weight of 309.37 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-[(5-methylimidazo[1,2-a]pyridin-3-yl)methylamino]-3,4-dihydro-2H-chromen-3-ol is sourced from PubChem (CID 167955439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).