6-chloro-N-[(2R,3S,4S)-3-hydroxy-2-(piperidin-1-ylmethyl)oxan-4-yl]imidazo[1,2-a]pyridine-2-carboxamide

C19H25ClN4O3 — CID 165424978

IUPAC6-chloro-N-[(2R,3S,4S)-3-hydroxy-2-(piperidin-1-ylmethyl)oxan-4-yl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESO=C(N[C@H]1CCO[C@H](CN2CCCCC2)[C@H]1O)c1cn2cc(Cl)ccc2n1
InChIInChI=1S/C19H25ClN4O3/c20-13-4-5-17-21-15(11-24(17)10-13)19(26)22-14-6-9-27-16(18(14)25)12-23-7-2-1-3-8-23/h4-5,10-11,14,16,18,25H,1-3,6-9,12H2,(H,22,26)/t14-,16+,18-/m0/s1
InChIKeyGEVHTJZCJCJDGQ-LESCRADOSA-N
MW392.89 g/mol
LogP1.72
Rot. Bonds4

About 6-chloro-N-[(2R,3S,4S)-3-hydroxy-2-(piperidin-1-ylmethyl)oxan-4-yl]imidazo[1,2-a]pyridine-2-carboxamide

6-chloro-N-[(2R,3S,4S)-3-hydroxy-2-(piperidin-1-ylmethyl)oxan-4-yl]imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 165424978) has the molecular formula C19H25ClN4O3 and a molecular weight of 392.89 g/mol. Its IUPAC name is 6-chloro-N-[(2R,3S,4S)-3-hydroxy-2-(piperidin-1-ylmethyl)oxan-4-yl]imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[(2R,3S,4S)-3-hydroxy-2-(piperidin-1-ylmethyl)oxan-4-yl]imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID165424978
Molecular FormulaC19H25ClN4O3
Molecular Weight392.89 g/mol
Exact Mass392.16
IUPAC Name6-chloro-N-[(2R,3S,4S)-3-hydroxy-2-(piperidin-1-ylmethyl)oxan-4-yl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESO=C(N[C@H]1CCO[C@H](CN2CCCCC2)[C@H]1O)c1cn2cc(Cl)ccc2n1
InChIInChI=1S/C19H25ClN4O3/c20-13-4-5-17-21-15(11-24(17)10-13)19(26)22-14-6-9-27-16(18(14)25)12-23-7-2-1-3-8-23/h4-5,10-11,14,16,18,25H,1-3,6-9,12H2,(H,22,26)/t14-,16+,18-/m0/s1
InChIKeyGEVHTJZCJCJDGQ-LESCRADOSA-N
XLogP1.72
TPSA79.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.89
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-N-(2-piperidin-1-ylethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 87051345
N-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-6-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 110127357
6-chloro-N-(1-methyl-5-oxopyrrolidin-3-yl)imidazo[1,2-a]pyridine-2-carboxamide
CID 45237342
6-chloro-N-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]imidazo[1,2-a]pyridine-2-carboxamide
CID 28823587
N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-4-piperidin-1-ylbenzamide
CID 154823860
6-methyl-N-(2-pyrrolidin-1-ylethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 87051439
3-(6-chloroimidazo[1,2-a]pyridin-2-yl)-3-oxopropanoic acid
CID 170887196
2-ethyl-N-[(2R,3S,4S)-2-[(4-ethylpiperazin-1-yl)methyl]-3-hydroxyoxan-4-yl]-4-methyl-1,3-oxazole-5-carboxamide
CID 165426413
4-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-1,4-oxazepane-6-carboxylic acid
CID 138379369
N-[(2R,3S,4S)-2-[(4-carbamoylpiperidin-1-yl)methyl]-3-hydroxyoxan-4-yl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide
CID 165427820
N-(2-hydroxycyclohexyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 55063744
6-(4-chlorophenyl)-N-(cyclopropylmethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 42690096

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(2R,3S,4S)-3-hydroxy-2-(piperidin-1-ylmethyl)oxan-4-yl]imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of 6-chloro-N-[(2R,3S,4S)-3-hydroxy-2-(piperidin-1-ylmethyl)oxan-4-yl]imidazo[1,2-a]pyridine-2-carboxamide (CID 165424978) is 6-chloro-N-[(2R,3S,4S)-3-hydroxy-2-(piperidin-1-ylmethyl)oxan-4-yl]imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-[(2R,3S,4S)-3-hydroxy-2-(piperidin-1-ylmethyl)oxan-4-yl]imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for 6-chloro-N-[(2R,3S,4S)-3-hydroxy-2-(piperidin-1-ylmethyl)oxan-4-yl]imidazo[1,2-a]pyridine-2-carboxamide is O=C(N[C@H]1CCO[C@H](CN2CCCCC2)[C@H]1O)c1cn2cc(Cl)ccc2n1.
What is the InChIKey of 6-chloro-N-[(2R,3S,4S)-3-hydroxy-2-(piperidin-1-ylmethyl)oxan-4-yl]imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is GEVHTJZCJCJDGQ-LESCRADOSA-N. The full InChI is InChI=1S/C19H25ClN4O3/c20-13-4-5-17-21-15(11-24(17)10-13)19(26)22-14-6-9-27-16(18(14)25)12-23-7-2-1-3-8-23/h4-5,10-11,14,16,18,25H,1-3,6-9,12H2,(H,22,26)/t14-,16+,18-/m0/s1.
What are the key properties of 6-chloro-N-[(2R,3S,4S)-3-hydroxy-2-(piperidin-1-ylmethyl)oxan-4-yl]imidazo[1,2-a]pyridine-2-carboxamide?
6-chloro-N-[(2R,3S,4S)-3-hydroxy-2-(piperidin-1-ylmethyl)oxan-4-yl]imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 392.89 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(2R,3S,4S)-3-hydroxy-2-(piperidin-1-ylmethyl)oxan-4-yl]imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 165424978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).