(6-chloroimidazo[1,2-a]pyridin-2-yl)-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone

C14H16ClN3O3 — CID 56900534

IUPAC(6-chloroimidazo[1,2-a]pyridin-2-yl)-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone
SMILESO=C(c1cn2cc(Cl)ccc2n1)N1CCCC(O)(CO)C1
InChIInChI=1S/C14H16ClN3O3/c15-10-2-3-12-16-11(7-18(12)6-10)13(20)17-5-1-4-14(21,8-17)9-19/h2-3,6-7,19,21H,1,4-5,8-9H2
InChIKeyCUXLGHADHFGPBQ-UHFFFAOYSA-N
MW309.75 g/mol
LogP0.95
Rot. Bonds2

About (6-chloroimidazo[1,2-a]pyridin-2-yl)-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone

(6-chloroimidazo[1,2-a]pyridin-2-yl)-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone (PubChem CID 56900534) has the molecular formula C14H16ClN3O3 and a molecular weight of 309.75 g/mol. Its IUPAC name is (6-chloroimidazo[1,2-a]pyridin-2-yl)-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(6-chloroimidazo[1,2-a]pyridin-2-yl)-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone
PubChem CID56900534
Molecular FormulaC14H16ClN3O3
Molecular Weight309.75 g/mol
Exact Mass309.09
IUPAC Name(6-chloroimidazo[1,2-a]pyridin-2-yl)-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone
SMILESO=C(c1cn2cc(Cl)ccc2n1)N1CCCC(O)(CO)C1
InChIInChI=1S/C14H16ClN3O3/c15-10-2-3-12-16-11(7-18(12)6-10)13(20)17-5-1-4-14(21,8-17)9-19/h2-3,6-7,19,21H,1,4-5,8-9H2
InChIKeyCUXLGHADHFGPBQ-UHFFFAOYSA-N
XLogP0.95
TPSA78.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.75
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(6-chloroimidazo[1,2-a]pyridin-2-yl)-[(3R)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone
CID 95713723
(6-chloroimidazo[1,2-a]pyridin-2-yl)-(1-prop-2-enyl-1,9-diazaspiro[4.5]decan-9-yl)methanone
CID 131690978
[(3S)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 99992334
ethyl 4-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)piperazine-1-carboxylate
CID 42536529
(6-chloroimidazo[1,2-a]pyridin-2-yl)-(2-phenylmorpholin-4-yl)methanone
CID 42649604
(3aR,7aR)-5-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-N-propan-2-yl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide
CID 155871938
ethyl (3R)-3-[(3-chlorophenyl)methyl]-1-(6-methylimidazo[1,2-a]pyridine-2-carbonyl)piperidine-3-carboxylate
CID 25278619
[3-hydroxy-3-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-1-yl]-(6-methylimidazo[1,2-a]pyridin-2-yl)methanone
CID 127248073
3-(6-chloroimidazo[1,2-a]pyridin-2-yl)-3-oxopropanoic acid
CID 170887196
4-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-1,4-oxazepane-6-carboxylic acid
CID 138379369
(4-benzylpiperazin-1-yl)-[6-(4-chlorophenyl)imidazo[1,2-a]pyridin-2-yl]methanone
CID 42876520
8-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one;formic acid
CID 155870802

Frequently Asked Questions

What is the IUPAC name of (6-chloroimidazo[1,2-a]pyridin-2-yl)-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone?
The IUPAC name of (6-chloroimidazo[1,2-a]pyridin-2-yl)-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone (CID 56900534) is (6-chloroimidazo[1,2-a]pyridin-2-yl)-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (6-chloroimidazo[1,2-a]pyridin-2-yl)-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for (6-chloroimidazo[1,2-a]pyridin-2-yl)-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone is O=C(c1cn2cc(Cl)ccc2n1)N1CCCC(O)(CO)C1.
What is the InChIKey of (6-chloroimidazo[1,2-a]pyridin-2-yl)-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone?
The InChIKey is CUXLGHADHFGPBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O3/c15-10-2-3-12-16-11(7-18(12)6-10)13(20)17-5-1-4-14(21,8-17)9-19/h2-3,6-7,19,21H,1,4-5,8-9H2.
What are the key properties of (6-chloroimidazo[1,2-a]pyridin-2-yl)-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone?
(6-chloroimidazo[1,2-a]pyridin-2-yl)-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone has a molecular weight of 309.75 g/mol, XLogP of 0.95, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloroimidazo[1,2-a]pyridin-2-yl)-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 56900534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).