tert-butyl 4-[2-ethyl-3-[formyl(methyl)amino]-7-methylimidazo[1,2-a]pyridin-6-yl]piperidine-1-carboxylate;tert-butyl 4-[2-ethyl-7-methyl-3-(methylamino)imidazo[1,2-a]pyridin-6-yl]piperidine-1-carboxylate;2-ethyl-N,7-dimethyl-6-piperidin-4-ylimidazo[1,2-a]pyridin-3-amine

C59H88N12O5 — CID 159209559

IUPACtert-butyl 4-[2-ethyl-3-[formyl(methyl)amino]-7-methylimidazo[1,2-a]pyridin-6-yl]piperidine-1-carboxylate;tert-butyl 4-[2-ethyl-7-methyl-3-(methylamino)imidazo[1,2-a]pyridin-6-yl]piperidine-1-carboxylate;2-ethyl-N,7-dimethyl-6-piperidin-4-ylimidazo[1,2-a]pyridin-3-amine
SMILESCCc1nc2cc(C)c(C3CCN(C(=O)OC(C)(C)C)CC3)cn2c1N(C)C=O.CCc1nc2cc(C)c(C3CCN(C(=O)OC(C)(C)C)CC3)cn2c1NC.CCc1nc2cc(C)c(C3CCNCC3)cn2c1NC
InChIInChI=1S/C22H32N4O3.C21H32N4O2.C16H24N4/c1-7-18-20(24(6)14-27)26-13-17(15(2)12-19(26)23-18)16-8-10-25(11-9-16)21(28)29-22(3,4)5;1-7-17-19(22-6)25-13-16(14(2)12-18(25)23-17)15-8-10-24(11-9-15)20(26)27-21(3,4)5;1-4-14-16(17-3)20-10-13(11(2)9-15(20)19-14)12-5-7-18-8-6-12/h12-14,16H,7-11H2,1-6H3;12-13,15,22H,7-11H2,1-6H3;9-10,12,17-18H,4-8H2,1-3H3
InChIKeyKQHYNPJGARPPNV-UHFFFAOYSA-N
MW1045.43 g/mol
LogP10.99
Rot. Bonds10

About tert-butyl 4-[2-ethyl-3-[formyl(methyl)amino]-7-methylimidazo[1,2-a]pyridin-6-yl]piperidine-1-carboxylate;tert-butyl 4-[2-ethyl-7-methyl-3-(methylamino)imidazo[1,2-a]pyridin-6-yl]piperidine-1-carboxylate;2-ethyl-N,7-dimethyl-6-piperidin-4-ylimidazo[1,2-a]pyridin-3-amine

tert-butyl 4-[2-ethyl-3-[formyl(methyl)amino]-7-methylimidazo[1,2-a]pyridin-6-yl]piperidine-1-carboxylate;tert-butyl 4-[2-ethyl-7-methyl-3-(methylamino)imidazo[1,2-a]pyridin-6-yl]piperidine-1-carboxylate;2-ethyl-N,7-dimethyl-6-piperidin-4-ylimidazo[1,2-a]pyridin-3-amine (PubChem CID 159209559) has the molecular formula C59H88N12O5 and a molecular weight of 1045.43 g/mol. Its IUPAC name is tert-butyl 4-[2-ethyl-3-[formyl(methyl)amino]-7-methylimidazo[1,2-a]pyridin-6-yl]piperidine-1-carboxylate;tert-butyl 4-[2-ethyl-7-methyl-3-(methylamino)imidazo[1,2-a]pyridin-6-yl]piperidine-1-carboxylate;2-ethyl-N,7-dimethyl-6-piperidin-4-ylimidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound Nametert-butyl 4-[2-ethyl-3-[formyl(methyl)amino]-7-methylimidazo[1,2-a]pyridin-6-yl]piperidine-1-carboxylate;tert-butyl 4-[2-ethyl-7-methyl-3-(methylamino)imidazo[1,2-a]pyridin-6-yl]piperidine-1-carboxylate;2-ethyl-N,7-dimethyl-6-piperidin-4-ylimidazo[1,2-a]pyridin-3-amine
PubChem CID159209559
Molecular FormulaC59H88N12O5
Molecular Weight1045.43 g/mol
Exact Mass1044.70
IUPAC Nametert-butyl 4-[2-ethyl-3-[formyl(methyl)amino]-7-methylimidazo[1,2-a]pyridin-6-yl]piperidine-1-carboxylate;tert-butyl 4-[2-ethyl-7-methyl-3-(methylamino)imidazo[1,2-a]pyridin-6-yl]piperidine-1-carboxylate;2-ethyl-N,7-dimethyl-6-piperidin-4-ylimidazo[1,2-a]pyridin-3-amine
SMILESCCc1nc2cc(C)c(C3CCN(C(=O)OC(C)(C)C)CC3)cn2c1N(C)C=O.CCc1nc2cc(C)c(C3CCN(C(=O)OC(C)(C)C)CC3)cn2c1NC.CCc1nc2cc(C)c(C3CCNCC3)cn2c1NC
InChIInChI=1S/C22H32N4O3.C21H32N4O2.C16H24N4/c1-7-18-20(24(6)14-27)26-13-17(15(2)12-19(26)23-18)16-8-10-25(11-9-16)21(28)29-22(3,4)5;1-7-17-19(22-6)25-13-16(14(2)12-18(25)23-17)15-8-10-24(11-9-15)20(26)27-21(3,4)5;1-4-14-16(17-3)20-10-13(11(2)9-15(20)19-14)12-5-7-18-8-6-12/h12-14,16H,7-11H2,1-6H3;12-13,15,22H,7-11H2,1-6H3;9-10,12,17-18H,4-8H2,1-3H3
InChIKeyKQHYNPJGARPPNV-UHFFFAOYSA-N
XLogP10.99
TPSA167.38 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds10
Heavy Atoms76
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001045.43
LogP ≤ 510.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze tert-butyl 4-[2-ethyl-3-[formyl(methyl)amino]-7-methylimidazo[1,2-a]pyridin-6-yl]piperidine-1-carboxylate;tert-butyl 4-[2-ethyl-7-methyl-3-(methylamino)imidazo[1,2-a]pyridin-6-yl]piperidine-1-carboxylate;2-ethyl-N,7-dimethyl-6-piperidin-4-ylimidazo[1,2-a]pyridin-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-ethyl-3-[formyl(methyl)amino]-7-methylimidazo[1,2-a]pyridin-6-yl]piperidine-1-carboxylate;tert-butyl 4-[2-ethyl-7-methyl-3-(methylamino)imidazo[1,2-a]pyridin-6-yl]piperidine-1-carboxylate;2-ethyl-N,7-dimethyl-6-piperidin-4-ylimidazo[1,2-a]pyridin-3-amine?
The IUPAC name of tert-butyl 4-[2-ethyl-3-[formyl(methyl)amino]-7-methylimidazo[1,2-a]pyridin-6-yl]piperidine-1-carboxylate;tert-butyl 4-[2-ethyl-7-methyl-3-(methylamino)imidazo[1,2-a]pyridin-6-yl]piperidine-1-carboxylate;2-ethyl-N,7-dimethyl-6-piperidin-4-ylimidazo[1,2-a]pyridin-3-amine (CID 159209559) is tert-butyl 4-[2-ethyl-3-[formyl(methyl)amino]-7-methylimidazo[1,2-a]pyridin-6-yl]piperidine-1-carboxylate;tert-butyl 4-[2-ethyl-7-methyl-3-(methylamino)imidazo[1,2-a]pyridin-6-yl]piperidine-1-carboxylate;2-ethyl-N,7-dimethyl-6-piperidin-4-ylimidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for tert-butyl 4-[2-ethyl-3-[formyl(methyl)amino]-7-methylimidazo[1,2-a]pyridin-6-yl]piperidine-1-carboxylate;tert-butyl 4-[2-ethyl-7-methyl-3-(methylamino)imidazo[1,2-a]pyridin-6-yl]piperidine-1-carboxylate;2-ethyl-N,7-dimethyl-6-piperidin-4-ylimidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for tert-butyl 4-[2-ethyl-3-[formyl(methyl)amino]-7-methylimidazo[1,2-a]pyridin-6-yl]piperidine-1-carboxylate;tert-butyl 4-[2-ethyl-7-methyl-3-(methylamino)imidazo[1,2-a]pyridin-6-yl]piperidine-1-carboxylate;2-ethyl-N,7-dimethyl-6-piperidin-4-ylimidazo[1,2-a]pyridin-3-amine is CCc1nc2cc(C)c(C3CCN(C(=O)OC(C)(C)C)CC3)cn2c1N(C)C=O.CCc1nc2cc(C)c(C3CCN(C(=O)OC(C)(C)C)CC3)cn2c1NC.CCc1nc2cc(C)c(C3CCNCC3)cn2c1NC.
What is the InChIKey of tert-butyl 4-[2-ethyl-3-[formyl(methyl)amino]-7-methylimidazo[1,2-a]pyridin-6-yl]piperidine-1-carboxylate;tert-butyl 4-[2-ethyl-7-methyl-3-(methylamino)imidazo[1,2-a]pyridin-6-yl]piperidine-1-carboxylate;2-ethyl-N,7-dimethyl-6-piperidin-4-ylimidazo[1,2-a]pyridin-3-amine?
The InChIKey is KQHYNPJGARPPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O3.C21H32N4O2.C16H24N4/c1-7-18-20(24(6)14-27)26-13-17(15(2)12-19(26)23-18)16-8-10-25(11-9-16)21(28)29-22(3,4)5;1-7-17-19(22-6)25-13-16(14(2)12-18(25)23-17)15-8-10-24(11-9-15)20(26)27-21(3,4)5;1-4-14-16(17-3)20-10-13(11(2)9-15(20)19-14)12-5-7-18-8-6-12/h12-14,16H,7-11H2,1-6H3;12-13,15,22H,7-11H2,1-6H3;9-10,12,17-18H,4-8H2,1-3H3.
What are the key properties of tert-butyl 4-[2-ethyl-3-[formyl(methyl)amino]-7-methylimidazo[1,2-a]pyridin-6-yl]piperidine-1-carboxylate;tert-butyl 4-[2-ethyl-7-methyl-3-(methylamino)imidazo[1,2-a]pyridin-6-yl]piperidine-1-carboxylate;2-ethyl-N,7-dimethyl-6-piperidin-4-ylimidazo[1,2-a]pyridin-3-amine?
tert-butyl 4-[2-ethyl-3-[formyl(methyl)amino]-7-methylimidazo[1,2-a]pyridin-6-yl]piperidine-1-carboxylate;tert-butyl 4-[2-ethyl-7-methyl-3-(methylamino)imidazo[1,2-a]pyridin-6-yl]piperidine-1-carboxylate;2-ethyl-N,7-dimethyl-6-piperidin-4-ylimidazo[1,2-a]pyridin-3-amine has a molecular weight of 1045.43 g/mol, XLogP of 10.99, 10 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-ethyl-3-[formyl(methyl)amino]-7-methylimidazo[1,2-a]pyridin-6-yl]piperidine-1-carboxylate;tert-butyl 4-[2-ethyl-7-methyl-3-(methylamino)imidazo[1,2-a]pyridin-6-yl]piperidine-1-carboxylate;2-ethyl-N,7-dimethyl-6-piperidin-4-ylimidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 159209559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).