azocan-1-yl-[6-chloro-3-[[[(2R)-4-pyrazol-1-ylbutan-2-yl]amino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone

C23H31ClN6O — CID 25287105

IUPACazocan-1-yl-[6-chloro-3-[[[(2R)-4-pyrazol-1-ylbutan-2-yl]amino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone
SMILESC[C@H](CCn1cccn1)NCc1c(C(=O)N2CCCCCCC2)nc2ccc(Cl)cn12
InChIInChI=1S/C23H31ClN6O/c1-18(10-15-29-14-7-11-26-29)25-16-20-22(27-21-9-8-19(24)17-30(20)21)23(31)28-12-5-3-2-4-6-13-28/h7-9,11,14,17-18,25H,2-6,10,12-13,15-16H2,1H3/t18-/m1/s1
InChIKeyZWRPIEKLALQDQP-GOSISDBHSA-N
MW443.00 g/mol
LogP4.16
Rot. Bonds7

About azocan-1-yl-[6-chloro-3-[[[(2R)-4-pyrazol-1-ylbutan-2-yl]amino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone

azocan-1-yl-[6-chloro-3-[[[(2R)-4-pyrazol-1-ylbutan-2-yl]amino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone (PubChem CID 25287105) has the molecular formula C23H31ClN6O and a molecular weight of 443.00 g/mol. Its IUPAC name is azocan-1-yl-[6-chloro-3-[[[(2R)-4-pyrazol-1-ylbutan-2-yl]amino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone.

Molecular Properties

Compound Nameazocan-1-yl-[6-chloro-3-[[[(2R)-4-pyrazol-1-ylbutan-2-yl]amino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone
PubChem CID25287105
Molecular FormulaC23H31ClN6O
Molecular Weight443.00 g/mol
Exact Mass442.22
IUPAC Nameazocan-1-yl-[6-chloro-3-[[[(2R)-4-pyrazol-1-ylbutan-2-yl]amino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone
SMILESC[C@H](CCn1cccn1)NCc1c(C(=O)N2CCCCCCC2)nc2ccc(Cl)cn12
InChIInChI=1S/C23H31ClN6O/c1-18(10-15-29-14-7-11-26-29)25-16-20-22(27-21-9-8-19(24)17-30(20)21)23(31)28-12-5-3-2-4-6-13-28/h7-9,11,14,17-18,25H,2-6,10,12-13,15-16H2,1H3/t18-/m1/s1
InChIKeyZWRPIEKLALQDQP-GOSISDBHSA-N
XLogP4.16
TPSA67.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.00
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze azocan-1-yl-[6-chloro-3-[[[(2R)-4-pyrazol-1-ylbutan-2-yl]amino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone with MolForge

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Related Compounds

azocan-1-yl-[6-chloro-3-[(2-pyrazol-1-ylethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methanone
CID 42591908
piperidin-1-yl-[5-[[[(2R)-4-pyrazol-1-ylbutan-2-yl]amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone
CID 42515139
azocan-1-yl-[6-chloro-3-[[[(1S)-1-(4-fluorophenyl)ethyl]amino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone
CID 42098612
azocan-1-yl-[6-chloro-3-[[1-hydroxypropan-2-yl(methyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone
CID 56865999
azocan-1-yl-[6-chloro-3-[[(6-methyl-2-pyridinyl)methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone
CID 42512739
azocan-1-yl-[6-chloro-3-[(3-methylsulfanylpropylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methanone
CID 42513954
[3-[[[(1S)-1-(2-chlorophenyl)ethyl]amino]methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-piperidin-1-ylmethanone
CID 42196675
methyl (2S)-1-[[2-(azocane-1-carbonyl)-6-chloroimidazo[1,2-a]pyridin-3-yl]methyl]pyrrolidine-2-carboxylate
CID 42286529
1-[[2-(azocane-1-carbonyl)-6-chloroimidazo[1,2-a]pyridin-3-yl]methyl]piperidine-3-carboxamide
CID 45204252
[5-[[1-(2-chlorophenyl)ethylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone
CID 45212751
[8-methyl-3-[[[(2S)-1-pyridin-3-ylpropan-2-yl]amino]methyl]imidazo[1,2-a]pyridin-2-yl]-piperidin-1-ylmethanone
CID 26404280
[8-methyl-3-[(1-pyridin-3-ylpropan-2-ylamino)methyl]imidazo[1,2-a]pyridin-2-yl]-piperidin-1-ylmethanone
CID 45249556

Frequently Asked Questions

What is the IUPAC name of azocan-1-yl-[6-chloro-3-[[[(2R)-4-pyrazol-1-ylbutan-2-yl]amino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone?
The IUPAC name of azocan-1-yl-[6-chloro-3-[[[(2R)-4-pyrazol-1-ylbutan-2-yl]amino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone (CID 25287105) is azocan-1-yl-[6-chloro-3-[[[(2R)-4-pyrazol-1-ylbutan-2-yl]amino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone.
What is the SMILES notation for azocan-1-yl-[6-chloro-3-[[[(2R)-4-pyrazol-1-ylbutan-2-yl]amino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone?
The canonical SMILES for azocan-1-yl-[6-chloro-3-[[[(2R)-4-pyrazol-1-ylbutan-2-yl]amino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone is C[C@H](CCn1cccn1)NCc1c(C(=O)N2CCCCCCC2)nc2ccc(Cl)cn12.
What is the InChIKey of azocan-1-yl-[6-chloro-3-[[[(2R)-4-pyrazol-1-ylbutan-2-yl]amino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone?
The InChIKey is ZWRPIEKLALQDQP-GOSISDBHSA-N. The full InChI is InChI=1S/C23H31ClN6O/c1-18(10-15-29-14-7-11-26-29)25-16-20-22(27-21-9-8-19(24)17-30(20)21)23(31)28-12-5-3-2-4-6-13-28/h7-9,11,14,17-18,25H,2-6,10,12-13,15-16H2,1H3/t18-/m1/s1.
What are the key properties of azocan-1-yl-[6-chloro-3-[[[(2R)-4-pyrazol-1-ylbutan-2-yl]amino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone?
azocan-1-yl-[6-chloro-3-[[[(2R)-4-pyrazol-1-ylbutan-2-yl]amino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone has a molecular weight of 443.00 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for azocan-1-yl-[6-chloro-3-[[[(2R)-4-pyrazol-1-ylbutan-2-yl]amino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone is sourced from PubChem (CID 25287105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).