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

C24H27N5O3 — CID 159334664

IUPACbutyl 4-[4-(imidazo[1,2-a]pyridin-6-ylcarbamoylamino)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCCCCOC(=O)N1CC=C(c2ccc(NC(=O)Nc3ccc4nccn4c3)cc2)CC1
InChIInChI=1S/C24H27N5O3/c1-2-3-16-32-24(31)28-13-10-19(11-14-28)18-4-6-20(7-5-18)26-23(30)27-21-8-9-22-25-12-15-29(22)17-21/h4-10,12,15,17H,2-3,11,13-14,16H2,1H3,(H2,26,27,30)
InChIKeyLFJLRPXCPUWPEA-UHFFFAOYSA-N
MW433.51 g/mol
LogP5.00
Rot. Bonds6

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

butyl 4-[4-(imidazo[1,2-a]pyridin-6-ylcarbamoylamino)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 159334664) has the molecular formula C24H27N5O3 and a molecular weight of 433.51 g/mol. Its IUPAC name is butyl 4-[4-(imidazo[1,2-a]pyridin-6-ylcarbamoylamino)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Namebutyl 4-[4-(imidazo[1,2-a]pyridin-6-ylcarbamoylamino)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate
PubChem CID159334664
Molecular FormulaC24H27N5O3
Molecular Weight433.51 g/mol
Exact Mass433.21
IUPAC Namebutyl 4-[4-(imidazo[1,2-a]pyridin-6-ylcarbamoylamino)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCCCCOC(=O)N1CC=C(c2ccc(NC(=O)Nc3ccc4nccn4c3)cc2)CC1
InChIInChI=1S/C24H27N5O3/c1-2-3-16-32-24(31)28-13-10-19(11-14-28)18-4-6-20(7-5-18)26-23(30)27-21-8-9-22-25-12-15-29(22)17-21/h4-10,12,15,17H,2-3,11,13-14,16H2,1H3,(H2,26,27,30)
InChIKeyLFJLRPXCPUWPEA-UHFFFAOYSA-N
XLogP5.00
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

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

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of butyl 4-[4-(imidazo[1,2-a]pyridin-6-ylcarbamoylamino)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of butyl 4-[4-(imidazo[1,2-a]pyridin-6-ylcarbamoylamino)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate (CID 159334664) is butyl 4-[4-(imidazo[1,2-a]pyridin-6-ylcarbamoylamino)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for butyl 4-[4-(imidazo[1,2-a]pyridin-6-ylcarbamoylamino)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for butyl 4-[4-(imidazo[1,2-a]pyridin-6-ylcarbamoylamino)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate is CCCCOC(=O)N1CC=C(c2ccc(NC(=O)Nc3ccc4nccn4c3)cc2)CC1.
What is the InChIKey of butyl 4-[4-(imidazo[1,2-a]pyridin-6-ylcarbamoylamino)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is LFJLRPXCPUWPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O3/c1-2-3-16-32-24(31)28-13-10-19(11-14-28)18-4-6-20(7-5-18)26-23(30)27-21-8-9-22-25-12-15-29(22)17-21/h4-10,12,15,17H,2-3,11,13-14,16H2,1H3,(H2,26,27,30).
What are the key properties of butyl 4-[4-(imidazo[1,2-a]pyridin-6-ylcarbamoylamino)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate?
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, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 4-[4-(imidazo[1,2-a]pyridin-6-ylcarbamoylamino)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 159334664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).