azocan-1-yl-[6-chloro-3-[[(6-methyl-2-pyridinyl)methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone

C23H28ClN5O — CID 42512739

IUPACazocan-1-yl-[6-chloro-3-[[(6-methyl-2-pyridinyl)methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone
SMILESCc1cccc(CNCc2c(C(=O)N3CCCCCCC3)nc3ccc(Cl)cn23)n1
InChIInChI=1S/C23H28ClN5O/c1-17-8-7-9-19(26-17)14-25-15-20-22(27-21-11-10-18(24)16-29(20)21)23(30)28-12-5-3-2-4-6-13-28/h7-11,16,25H,2-6,12-15H2,1H3
InChIKeyBCXDTSFCHLBIAH-UHFFFAOYSA-N
MW425.96 g/mol
LogP4.39
Rot. Bonds5

About azocan-1-yl-[6-chloro-3-[[(6-methyl-2-pyridinyl)methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone

azocan-1-yl-[6-chloro-3-[[(6-methyl-2-pyridinyl)methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone (PubChem CID 42512739) has the molecular formula C23H28ClN5O and a molecular weight of 425.96 g/mol. Its IUPAC name is azocan-1-yl-[6-chloro-3-[[(6-methyl-2-pyridinyl)methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone.

Molecular Properties

Compound Nameazocan-1-yl-[6-chloro-3-[[(6-methyl-2-pyridinyl)methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone
PubChem CID42512739
Molecular FormulaC23H28ClN5O
Molecular Weight425.96 g/mol
Exact Mass425.20
IUPAC Nameazocan-1-yl-[6-chloro-3-[[(6-methyl-2-pyridinyl)methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone
SMILESCc1cccc(CNCc2c(C(=O)N3CCCCCCC3)nc3ccc(Cl)cn23)n1
InChIInChI=1S/C23H28ClN5O/c1-17-8-7-9-19(26-17)14-25-15-20-22(27-21-11-10-18(24)16-29(20)21)23(30)28-12-5-3-2-4-6-13-28/h7-11,16,25H,2-6,12-15H2,1H3
InChIKeyBCXDTSFCHLBIAH-UHFFFAOYSA-N
XLogP4.39
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.96
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 42591908
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(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-[4-[(6-methyl-2-pyridinyl)methyl]-1,4-diazepan-1-yl]methanone
CID 46957604
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CID 25287105
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[3-[[(5,7-dimethylimidazo[1,2-a]pyridin-2-yl)methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]-pyrrolidin-1-ylmethanone
CID 126461099
azocan-1-yl-[6-chloro-3-[[methyl(1,2-oxazol-3-ylmethyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone
CID 29214811
methyl (2S)-1-[[2-(azocane-1-carbonyl)-6-chloroimidazo[1,2-a]pyridin-3-yl]methyl]pyrrolidine-2-carboxylate
CID 42286529
3-[(6-methyl-2-pyridinyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 113411343
azocan-1-yl-[6-chloro-3-[[(2S)-2-(hydroxymethyl)-2,5-dihydropyrrol-1-yl]methyl]imidazo[1,2-a]pyridin-2-yl]methanone
CID 95502478
[6-chloro-3-[[(3-fluoro-4-methylphenyl)methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 45235579

Frequently Asked Questions

What is the IUPAC name of azocan-1-yl-[6-chloro-3-[[(6-methyl-2-pyridinyl)methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone?
The IUPAC name of azocan-1-yl-[6-chloro-3-[[(6-methyl-2-pyridinyl)methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone (CID 42512739) is azocan-1-yl-[6-chloro-3-[[(6-methyl-2-pyridinyl)methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone.
What is the SMILES notation for azocan-1-yl-[6-chloro-3-[[(6-methyl-2-pyridinyl)methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone?
The canonical SMILES for azocan-1-yl-[6-chloro-3-[[(6-methyl-2-pyridinyl)methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone is Cc1cccc(CNCc2c(C(=O)N3CCCCCCC3)nc3ccc(Cl)cn23)n1.
What is the InChIKey of azocan-1-yl-[6-chloro-3-[[(6-methyl-2-pyridinyl)methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone?
The InChIKey is BCXDTSFCHLBIAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN5O/c1-17-8-7-9-19(26-17)14-25-15-20-22(27-21-11-10-18(24)16-29(20)21)23(30)28-12-5-3-2-4-6-13-28/h7-11,16,25H,2-6,12-15H2,1H3.
What are the key properties of azocan-1-yl-[6-chloro-3-[[(6-methyl-2-pyridinyl)methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone?
azocan-1-yl-[6-chloro-3-[[(6-methyl-2-pyridinyl)methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone has a molecular weight of 425.96 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azocan-1-yl-[6-chloro-3-[[(6-methyl-2-pyridinyl)methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone is sourced from PubChem (CID 42512739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).