tert-butyl 4-[4-(imidazo[1,2-a]pyridin-6-ylcarbamoylamino)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate

C24H27N5O3 — CID 86701927

IUPACtert-butyl 4-[4-(imidazo[1,2-a]pyridin-6-ylcarbamoylamino)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC=C(c2ccc(NC(=O)Nc3ccc4nccn4c3)cc2)CC1
InChIInChI=1S/C24H27N5O3/c1-24(2,3)32-23(31)28-13-10-18(11-14-28)17-4-6-19(7-5-17)26-22(30)27-20-8-9-21-25-12-15-29(21)16-20/h4-10,12,15-16H,11,13-14H2,1-3H3,(H2,26,27,30)
InChIKeyQMQAKVGZARWWSM-UHFFFAOYSA-N
MW433.51 g/mol
LogP5.00
Rot. Bonds3

About tert-butyl 4-[4-(imidazo[1,2-a]pyridin-6-ylcarbamoylamino)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate

tert-butyl 4-[4-(imidazo[1,2-a]pyridin-6-ylcarbamoylamino)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 86701927) has the molecular formula C24H27N5O3 and a molecular weight of 433.51 g/mol. Its IUPAC name is tert-butyl 4-[4-(imidazo[1,2-a]pyridin-6-ylcarbamoylamino)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[4-(imidazo[1,2-a]pyridin-6-ylcarbamoylamino)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate
PubChem CID86701927
Molecular FormulaC24H27N5O3
Molecular Weight433.51 g/mol
Exact Mass433.21
IUPAC Nametert-butyl 4-[4-(imidazo[1,2-a]pyridin-6-ylcarbamoylamino)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC=C(c2ccc(NC(=O)Nc3ccc4nccn4c3)cc2)CC1
InChIInChI=1S/C24H27N5O3/c1-24(2,3)32-23(31)28-13-10-18(11-14-28)17-4-6-19(7-5-17)26-22(30)27-20-8-9-21-25-12-15-29(21)16-20/h4-10,12,15-16H,11,13-14H2,1-3H3,(H2,26,27,30)
InChIKeyQMQAKVGZARWWSM-UHFFFAOYSA-N
XLogP5.00
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.51
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

butyl 4-[4-(imidazo[1,2-a]pyridin-6-ylcarbamoylamino)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 159334664
tert-butyl 4-pyridin-4-yl-3,6-dihydro-2H-pyridine-1-carboxylate;ethane
CID 144594549
tert-butyl 4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 168797668
tert-butyl N-imidazo[1,2-a]pyridin-6-ylcarbamate
CID 137368600
tert-butyl 4-[4-(1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonylamino)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 68751289
tert-butyl 4-(4-aminophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 53415310
methyl 5-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine-2-carboxylate
CID 67125893
tert-butyl 4-[4-(methylcarbamoyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 149339424
tert-butyl 4-(6-methoxy-3-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 154620521
tert-butyl 4-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 18364827
tert-butyl 4-pyridin-3-yl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 58913408
tert-butyl 4-(4-thiomorpholin-4-ylphenyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 155056800

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[4-(imidazo[1,2-a]pyridin-6-ylcarbamoylamino)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of tert-butyl 4-[4-(imidazo[1,2-a]pyridin-6-ylcarbamoylamino)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate (CID 86701927) is tert-butyl 4-[4-(imidazo[1,2-a]pyridin-6-ylcarbamoylamino)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[4-(imidazo[1,2-a]pyridin-6-ylcarbamoylamino)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[4-(imidazo[1,2-a]pyridin-6-ylcarbamoylamino)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate is CC(C)(C)OC(=O)N1CC=C(c2ccc(NC(=O)Nc3ccc4nccn4c3)cc2)CC1.
What is the InChIKey of tert-butyl 4-[4-(imidazo[1,2-a]pyridin-6-ylcarbamoylamino)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is QMQAKVGZARWWSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O3/c1-24(2,3)32-23(31)28-13-10-18(11-14-28)17-4-6-19(7-5-17)26-22(30)27-20-8-9-21-25-12-15-29(21)16-20/h4-10,12,15-16H,11,13-14H2,1-3H3,(H2,26,27,30).
What are the key properties of tert-butyl 4-[4-(imidazo[1,2-a]pyridin-6-ylcarbamoylamino)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate?
tert-butyl 4-[4-(imidazo[1,2-a]pyridin-6-ylcarbamoylamino)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 433.51 g/mol, XLogP of 5.00, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[4-(imidazo[1,2-a]pyridin-6-ylcarbamoylamino)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 86701927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).