[(3R)-3-aminopiperidin-1-yl]-[2-[1-(cyclopropylmethyl)indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone;tert-butyl N-[(3R)-1-[2-[3-bromo-1-(cyclopropylmethyl)indol-2-yl]-3-methylimidazo[1,2-a]pyridine-7-carbonyl]piperidin-3-yl]carbamate;tert-butyl N-[(3R)-1-[2-[1-(cyclopropylmethyl)indol-2-yl]-3-methylimidazo[1,2-a]pyridine-7-carbonyl]piperidin-3-yl]carbamate;methane;hydroiodide

C89H107BrIN15O7 — CID 159048171

IUPAC[(3R)-3-aminopiperidin-1-yl]-[2-[1-(cyclopropylmethyl)indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone;tert-butyl N-[(3R)-1-[2-[3-bromo-1-(cyclopropylmethyl)indol-2-yl]-3-methylimidazo[1,2-a]pyridine-7-carbonyl]piperidin-3-yl]carbamate;tert-butyl N-[(3R)-1-[2-[1-(cyclopropylmethyl)indol-2-yl]-3-methylimidazo[1,2-a]pyridine-7-carbonyl]piperidin-3-yl]carbamate;methane;hydroiodide
SMILESC.Cc1c(-c2c(Br)c3ccccc3n2CC2CC2)nc2cc(C(=O)N3CCC[C@@H](NC(=O)OC(C)(C)C)C3)ccn12.Cc1c(-c2cc3ccccc3n2CC2CC2)nc2cc(C(=O)N3CCC[C@@H](N)C3)ccn12.Cc1c(-c2cc3ccccc3n2CC2CC2)nc2cc(C(=O)N3CCC[C@@H](NC(=O)OC(C)(C)C)C3)ccn12.I
InChIInChI=1S/C31H36BrN5O3.C31H37N5O3.C26H29N5O.CH4.HI/c1-19-27(28-26(32)23-9-5-6-10-24(23)37(28)17-20-11-12-20)34-25-16-21(13-15-36(19)25)29(38)35-14-7-8-22(18-35)33-30(39)40-31(2,3)4;1-20-28(26-16-22-8-5-6-10-25(22)36(26)18-21-11-12-21)33-27-17-23(13-15-35(20)27)29(37)34-14-7-9-24(19-34)32-30(38)39-31(2,3)4;1-17-25(23-13-19-5-2-3-7-22(19)31(23)15-18-8-9-18)28-24-14-20(10-12-30(17)24)26(32)29-11-4-6-21(27)16-29;;/h5-6,9-10,13,15-16,20,22H,7-8,11-12,14,17-18H2,1-4H3,(H,33,39);5-6,8,10,13,15-17,21,24H,7,9,11-12,14,18-19H2,1-4H3,(H,32,38);2-3,5,7,10,12-14,18,21H,4,6,8-9,11,15-16,27H2,1H3;1H4;1H/t22-;24-;21-;;/m111../s1
InChIKeyLOKNYVJRODIFCQ-BVZHOMBISA-N
MW1705.74 g/mol
LogP17.86
Rot. Bonds14

About [(3R)-3-aminopiperidin-1-yl]-[2-[1-(cyclopropylmethyl)indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone;tert-butyl N-[(3R)-1-[2-[3-bromo-1-(cyclopropylmethyl)indol-2-yl]-3-methylimidazo[1,2-a]pyridine-7-carbonyl]piperidin-3-yl]carbamate;tert-butyl N-[(3R)-1-[2-[1-(cyclopropylmethyl)indol-2-yl]-3-methylimidazo[1,2-a]pyridine-7-carbonyl]piperidin-3-yl]carbamate;methane;hydroiodide

[(3R)-3-aminopiperidin-1-yl]-[2-[1-(cyclopropylmethyl)indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone;tert-butyl N-[(3R)-1-[2-[3-bromo-1-(cyclopropylmethyl)indol-2-yl]-3-methylimidazo[1,2-a]pyridine-7-carbonyl]piperidin-3-yl]carbamate;tert-butyl N-[(3R)-1-[2-[1-(cyclopropylmethyl)indol-2-yl]-3-methylimidazo[1,2-a]pyridine-7-carbonyl]piperidin-3-yl]carbamate;methane;hydroiodide (PubChem CID 159048171) has the molecular formula C89H107BrIN15O7 and a molecular weight of 1705.74 g/mol. Its IUPAC name is [(3R)-3-aminopiperidin-1-yl]-[2-[1-(cyclopropylmethyl)indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone;tert-butyl N-[(3R)-1-[2-[3-bromo-1-(cyclopropylmethyl)indol-2-yl]-3-methylimidazo[1,2-a]pyridine-7-carbonyl]piperidin-3-yl]carbamate;tert-butyl N-[(3R)-1-[2-[1-(cyclopropylmethyl)indol-2-yl]-3-methylimidazo[1,2-a]pyridine-7-carbonyl]piperidin-3-yl]carbamate;methane;hydroiodide.

Molecular Properties

Compound Name[(3R)-3-aminopiperidin-1-yl]-[2-[1-(cyclopropylmethyl)indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone;tert-butyl N-[(3R)-1-[2-[3-bromo-1-(cyclopropylmethyl)indol-2-yl]-3-methylimidazo[1,2-a]pyridine-7-carbonyl]piperidin-3-yl]carbamate;tert-butyl N-[(3R)-1-[2-[1-(cyclopropylmethyl)indol-2-yl]-3-methylimidazo[1,2-a]pyridine-7-carbonyl]piperidin-3-yl]carbamate;methane;hydroiodide
PubChem CID159048171
Molecular FormulaC89H107BrIN15O7
Molecular Weight1705.74 g/mol
Exact Mass1703.67
IUPAC Name[(3R)-3-aminopiperidin-1-yl]-[2-[1-(cyclopropylmethyl)indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone;tert-butyl N-[(3R)-1-[2-[3-bromo-1-(cyclopropylmethyl)indol-2-yl]-3-methylimidazo[1,2-a]pyridine-7-carbonyl]piperidin-3-yl]carbamate;tert-butyl N-[(3R)-1-[2-[1-(cyclopropylmethyl)indol-2-yl]-3-methylimidazo[1,2-a]pyridine-7-carbonyl]piperidin-3-yl]carbamate;methane;hydroiodide
SMILESC.Cc1c(-c2c(Br)c3ccccc3n2CC2CC2)nc2cc(C(=O)N3CCC[C@@H](NC(=O)OC(C)(C)C)C3)ccn12.Cc1c(-c2cc3ccccc3n2CC2CC2)nc2cc(C(=O)N3CCC[C@@H](N)C3)ccn12.Cc1c(-c2cc3ccccc3n2CC2CC2)nc2cc(C(=O)N3CCC[C@@H](NC(=O)OC(C)(C)C)C3)ccn12.I
InChIInChI=1S/C31H36BrN5O3.C31H37N5O3.C26H29N5O.CH4.HI/c1-19-27(28-26(32)23-9-5-6-10-24(23)37(28)17-20-11-12-20)34-25-16-21(13-15-36(19)25)29(38)35-14-7-8-22(18-35)33-30(39)40-31(2,3)4;1-20-28(26-16-22-8-5-6-10-25(22)36(26)18-21-11-12-21)33-27-17-23(13-15-35(20)27)29(37)34-14-7-9-24(19-34)32-30(38)39-31(2,3)4;1-17-25(23-13-19-5-2-3-7-22(19)31(23)15-18-8-9-18)28-24-14-20(10-12-30(17)24)26(32)29-11-4-6-21(27)16-29;;/h5-6,9-10,13,15-16,20,22H,7-8,11-12,14,17-18H2,1-4H3,(H,33,39);5-6,8,10,13,15-17,21,24H,7,9,11-12,14,18-19H2,1-4H3,(H,32,38);2-3,5,7,10,12-14,18,21H,4,6,8-9,11,15-16,27H2,1H3;1H4;1H/t22-;24-;21-;;/m111../s1
InChIKeyLOKNYVJRODIFCQ-BVZHOMBISA-N
XLogP17.86
TPSA230.30 Ų
H-Bond Donors3
H-Bond Acceptors17
Rotatable Bonds14
Heavy Atoms113
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001705.74
LogP ≤ 517.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze [(3R)-3-aminopiperidin-1-yl]-[2-[1-(cyclopropylmethyl)indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone;tert-butyl N-[(3R)-1-[2-[3-bromo-1-(cyclopropylmethyl)indol-2-yl]-3-methylimidazo[1,2-a]pyridine-7-carbonyl]piperidin-3-yl]carbamate;tert-butyl N-[(3R)-1-[2-[1-(cyclopropylmethyl)indol-2-yl]-3-methylimidazo[1,2-a]pyridine-7-carbonyl]piperidin-3-yl]carbamate;methane;hydroiodide with MolForge

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Related Compounds

tert-butyl N-[(3R)-1-[3-methyl-2-[1-(pyrazin-2-ylmethyl)indol-2-yl]imidazo[1,2-a]pyridine-7-carbonyl]piperidin-3-yl]carbamate
CID 138578703
[(3R)-3-aminopiperidin-1-yl]-[2-[3-bromo-1-(cyclopropylmethyl)indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone
CID 138562789
tert-butyl N-[(3R)-1-[2-[1-(cyclopropylmethyl)indol-2-yl]-3-phenylimidazo[1,2-a]pyridine-7-carbonyl]piperidin-3-yl]carbamate
CID 138578763
2-[[5-(1-amino-3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]amino]-7-cyclopentyl-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide;tert-butyl N-[3-[6-[[7-cyclopentyl-6-(dimethylcarbamoyl)pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-pyridinyl]-3-azabicyclo[3.1.0]hexan-1-yl]carbamate
CID 87368238
[(3R)-3-aminopiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-5-[6-[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-3-methylimidazo[4,5-b]pyridine-6-carbonyl]-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-2-yl]pyrrolo[2,3-b]pyridin-2-yl]-3-methylimidazo[4,5-b]pyridin-6-yl]methanone
CID 129236563
(3-Aminopiperidin-1-yl)-[2-[3-bromo-1-(cyclopropylmethyl)indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone
CID 138562790
[(3R)-1-[2-[3-bromo-1-(cyclopropylmethyl)indol-2-yl]-3-methylimidazo[1,2-a]pyridine-7-carbonyl]piperidin-3-yl]carbamic acid
CID 138562793
[1-[2-[3-Bromo-1-(cyclopropylmethyl)indol-2-yl]-3-methylimidazo[1,2-a]pyridine-7-carbonyl]piperidin-3-yl]carbamic acid
CID 138562794
tert-butyl N-[(3R)-1-[2-[1-(cyclopropylmethyl)indol-2-yl]-3-methylimidazo[1,2-a]pyridine-7-carbonyl]piperidin-3-yl]carbamate
CID 138578622
tert-butyl N-[(3R)-1-[2-[3-bromo-1-(cyclopropylmethyl)indol-2-yl]-3-methylimidazo[1,2-a]pyridine-7-carbonyl]piperidin-3-yl]carbamate
CID 138579344
[(3aR,7aR)-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-6-yl]-[2-[5-[(3aR,7aS)-6-[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-3-methylimidazo[4,5-b]pyridine-6-carbonyl]-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-3-methylimidazo[4,5-b]pyridin-6-yl]methanone
CID 145330079
1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-6-yl-[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-3-methylimidazo[4,5-b]pyridin-6-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-3-methylimidazo[4,5-b]pyridin-6-yl]methanone
CID 145330091

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-aminopiperidin-1-yl]-[2-[1-(cyclopropylmethyl)indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone;tert-butyl N-[(3R)-1-[2-[3-bromo-1-(cyclopropylmethyl)indol-2-yl]-3-methylimidazo[1,2-a]pyridine-7-carbonyl]piperidin-3-yl]carbamate;tert-butyl N-[(3R)-1-[2-[1-(cyclopropylmethyl)indol-2-yl]-3-methylimidazo[1,2-a]pyridine-7-carbonyl]piperidin-3-yl]carbamate;methane;hydroiodide?
The IUPAC name of [(3R)-3-aminopiperidin-1-yl]-[2-[1-(cyclopropylmethyl)indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone;tert-butyl N-[(3R)-1-[2-[3-bromo-1-(cyclopropylmethyl)indol-2-yl]-3-methylimidazo[1,2-a]pyridine-7-carbonyl]piperidin-3-yl]carbamate;tert-butyl N-[(3R)-1-[2-[1-(cyclopropylmethyl)indol-2-yl]-3-methylimidazo[1,2-a]pyridine-7-carbonyl]piperidin-3-yl]carbamate;methane;hydroiodide (CID 159048171) is [(3R)-3-aminopiperidin-1-yl]-[2-[1-(cyclopropylmethyl)indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone;tert-butyl N-[(3R)-1-[2-[3-bromo-1-(cyclopropylmethyl)indol-2-yl]-3-methylimidazo[1,2-a]pyridine-7-carbonyl]piperidin-3-yl]carbamate;tert-butyl N-[(3R)-1-[2-[1-(cyclopropylmethyl)indol-2-yl]-3-methylimidazo[1,2-a]pyridine-7-carbonyl]piperidin-3-yl]carbamate;methane;hydroiodide.
What is the SMILES notation for [(3R)-3-aminopiperidin-1-yl]-[2-[1-(cyclopropylmethyl)indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone;tert-butyl N-[(3R)-1-[2-[3-bromo-1-(cyclopropylmethyl)indol-2-yl]-3-methylimidazo[1,2-a]pyridine-7-carbonyl]piperidin-3-yl]carbamate;tert-butyl N-[(3R)-1-[2-[1-(cyclopropylmethyl)indol-2-yl]-3-methylimidazo[1,2-a]pyridine-7-carbonyl]piperidin-3-yl]carbamate;methane;hydroiodide?
The canonical SMILES for [(3R)-3-aminopiperidin-1-yl]-[2-[1-(cyclopropylmethyl)indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone;tert-butyl N-[(3R)-1-[2-[3-bromo-1-(cyclopropylmethyl)indol-2-yl]-3-methylimidazo[1,2-a]pyridine-7-carbonyl]piperidin-3-yl]carbamate;tert-butyl N-[(3R)-1-[2-[1-(cyclopropylmethyl)indol-2-yl]-3-methylimidazo[1,2-a]pyridine-7-carbonyl]piperidin-3-yl]carbamate;methane;hydroiodide is C.Cc1c(-c2c(Br)c3ccccc3n2CC2CC2)nc2cc(C(=O)N3CCC[C@@H](NC(=O)OC(C)(C)C)C3)ccn12.Cc1c(-c2cc3ccccc3n2CC2CC2)nc2cc(C(=O)N3CCC[C@@H](N)C3)ccn12.Cc1c(-c2cc3ccccc3n2CC2CC2)nc2cc(C(=O)N3CCC[C@@H](NC(=O)OC(C)(C)C)C3)ccn12.I.
What is the InChIKey of [(3R)-3-aminopiperidin-1-yl]-[2-[1-(cyclopropylmethyl)indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone;tert-butyl N-[(3R)-1-[2-[3-bromo-1-(cyclopropylmethyl)indol-2-yl]-3-methylimidazo[1,2-a]pyridine-7-carbonyl]piperidin-3-yl]carbamate;tert-butyl N-[(3R)-1-[2-[1-(cyclopropylmethyl)indol-2-yl]-3-methylimidazo[1,2-a]pyridine-7-carbonyl]piperidin-3-yl]carbamate;methane;hydroiodide?
The InChIKey is LOKNYVJRODIFCQ-BVZHOMBISA-N. The full InChI is InChI=1S/C31H36BrN5O3.C31H37N5O3.C26H29N5O.CH4.HI/c1-19-27(28-26(32)23-9-5-6-10-24(23)37(28)17-20-11-12-20)34-25-16-21(13-15-36(19)25)29(38)35-14-7-8-22(18-35)33-30(39)40-31(2,3)4;1-20-28(26-16-22-8-5-6-10-25(22)36(26)18-21-11-12-21)33-27-17-23(13-15-35(20)27)29(37)34-14-7-9-24(19-34)32-30(38)39-31(2,3)4;1-17-25(23-13-19-5-2-3-7-22(19)31(23)15-18-8-9-18)28-24-14-20(10-12-30(17)24)26(32)29-11-4-6-21(27)16-29;;/h5-6,9-10,13,15-16,20,22H,7-8,11-12,14,17-18H2,1-4H3,(H,33,39);5-6,8,10,13,15-17,21,24H,7,9,11-12,14,18-19H2,1-4H3,(H,32,38);2-3,5,7,10,12-14,18,21H,4,6,8-9,11,15-16,27H2,1H3;1H4;1H/t22-;24-;21-;;/m111../s1.
What are the key properties of [(3R)-3-aminopiperidin-1-yl]-[2-[1-(cyclopropylmethyl)indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone;tert-butyl N-[(3R)-1-[2-[3-bromo-1-(cyclopropylmethyl)indol-2-yl]-3-methylimidazo[1,2-a]pyridine-7-carbonyl]piperidin-3-yl]carbamate;tert-butyl N-[(3R)-1-[2-[1-(cyclopropylmethyl)indol-2-yl]-3-methylimidazo[1,2-a]pyridine-7-carbonyl]piperidin-3-yl]carbamate;methane;hydroiodide?
[(3R)-3-aminopiperidin-1-yl]-[2-[1-(cyclopropylmethyl)indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone;tert-butyl N-[(3R)-1-[2-[3-bromo-1-(cyclopropylmethyl)indol-2-yl]-3-methylimidazo[1,2-a]pyridine-7-carbonyl]piperidin-3-yl]carbamate;tert-butyl N-[(3R)-1-[2-[1-(cyclopropylmethyl)indol-2-yl]-3-methylimidazo[1,2-a]pyridine-7-carbonyl]piperidin-3-yl]carbamate;methane;hydroiodide has a molecular weight of 1705.74 g/mol, XLogP of 17.86, 14 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-aminopiperidin-1-yl]-[2-[1-(cyclopropylmethyl)indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone;tert-butyl N-[(3R)-1-[2-[3-bromo-1-(cyclopropylmethyl)indol-2-yl]-3-methylimidazo[1,2-a]pyridine-7-carbonyl]piperidin-3-yl]carbamate;tert-butyl N-[(3R)-1-[2-[1-(cyclopropylmethyl)indol-2-yl]-3-methylimidazo[1,2-a]pyridine-7-carbonyl]piperidin-3-yl]carbamate;methane;hydroiodide is sourced from PubChem (CID 159048171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).