N-[5-[(3S)-1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]acetamide

C18H21ClN6O — CID 97344362

IUPACN-[5-[(3S)-1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]acetamide
SMILESCC(=O)Nc1cn[nH]c1[C@H]1CCCN(Cc2cn3cc(Cl)ccc3n2)C1
InChIInChI=1S/C18H21ClN6O/c1-12(26)21-16-7-20-23-18(16)13-3-2-6-24(8-13)10-15-11-25-9-14(19)4-5-17(25)22-15/h4-5,7,9,11,13H,2-3,6,8,10H2,1H3,(H,20,23)(H,21,26)/t13-/m0/s1
InChIKeyMOSGACBZWMVOIY-ZDUSSCGKSA-N
MW372.86 g/mol
LogP3.05
Rot. Bonds4

About N-[5-[(3S)-1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]acetamide

N-[5-[(3S)-1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]acetamide (PubChem CID 97344362) has the molecular formula C18H21ClN6O and a molecular weight of 372.86 g/mol. Its IUPAC name is N-[5-[(3S)-1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[5-[(3S)-1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]acetamide
PubChem CID97344362
Molecular FormulaC18H21ClN6O
Molecular Weight372.86 g/mol
Exact Mass372.15
IUPAC NameN-[5-[(3S)-1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]acetamide
SMILESCC(=O)Nc1cn[nH]c1[C@H]1CCCN(Cc2cn3cc(Cl)ccc3n2)C1
InChIInChI=1S/C18H21ClN6O/c1-12(26)21-16-7-20-23-18(16)13-3-2-6-24(8-13)10-15-11-25-9-14(19)4-5-17(25)22-15/h4-5,7,9,11,13H,2-3,6,8,10H2,1H3,(H,20,23)(H,21,26)/t13-/m0/s1
InChIKeyMOSGACBZWMVOIY-ZDUSSCGKSA-N
XLogP3.05
TPSA78.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.86
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[(3R)-1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]-2-methoxyacetamide
CID 97344485
N-[5-[(3R)-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]acetamide
CID 97344338
1-[1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-3-yl]-N-methylmethanamine
CID 61204212
1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]pyrrolidin-3-ol
CID 62917347
4-methoxy-N-[5-[(3S)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]benzamide
CID 97344525
4-methoxy-N-[5-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide
CID 97344523
[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1,4-diazepan-1-yl]-[(1R,2R)-2-methylcyclopropyl]methanone
CID 95774661
[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1,4-diazepan-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120634963
N-[5-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]benzamide
CID 75474491
2-[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]piperazin-1-yl]acetic acid
CID 43521849
(3S)-3-(4-acetamido-1H-pyrazol-5-yl)-N-(4-propan-2-ylphenyl)piperidine-1-carboxamide
CID 97343503
2-chloro-1-[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1,4-diazepan-1-yl]ethanone
CID 166403975

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3S)-1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]acetamide?
The IUPAC name of N-[5-[(3S)-1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]acetamide (CID 97344362) is N-[5-[(3S)-1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]acetamide.
What is the SMILES notation for N-[5-[(3S)-1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]acetamide?
The canonical SMILES for N-[5-[(3S)-1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]acetamide is CC(=O)Nc1cn[nH]c1[C@H]1CCCN(Cc2cn3cc(Cl)ccc3n2)C1.
What is the InChIKey of N-[5-[(3S)-1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]acetamide?
The InChIKey is MOSGACBZWMVOIY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H21ClN6O/c1-12(26)21-16-7-20-23-18(16)13-3-2-6-24(8-13)10-15-11-25-9-14(19)4-5-17(25)22-15/h4-5,7,9,11,13H,2-3,6,8,10H2,1H3,(H,20,23)(H,21,26)/t13-/m0/s1.
What are the key properties of N-[5-[(3S)-1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]acetamide?
N-[5-[(3S)-1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]acetamide has a molecular weight of 372.86 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3S)-1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]acetamide is sourced from PubChem (CID 97344362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).