4-[imidazo[1,2-a]pyridin-2-ylmethyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]butylcarbamic acid

C22H27N5O2 — CID 69229967

IUPAC4-[imidazo[1,2-a]pyridin-2-ylmethyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]butylcarbamic acid
SMILESO=C(O)NCCCCN(Cc1cn2ccccc2n1)C1CCCc2cccnc21
InChIInChI=1S/C22H27N5O2/c28-22(29)24-11-2-4-13-26(15-18-16-27-14-3-1-10-20(27)25-18)19-9-5-7-17-8-6-12-23-21(17)19/h1,3,6,8,10,12,14,16,19,24H,2,4-5,7,9,11,13,15H2,(H,28,29)
InChIKeyHGEYKEDQLNUDCC-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.66
Rot. Bonds8

About 4-[imidazo[1,2-a]pyridin-2-ylmethyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]butylcarbamic acid

4-[imidazo[1,2-a]pyridin-2-ylmethyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]butylcarbamic acid (PubChem CID 69229967) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is 4-[imidazo[1,2-a]pyridin-2-ylmethyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]butylcarbamic acid.

Molecular Properties

Compound Name4-[imidazo[1,2-a]pyridin-2-ylmethyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]butylcarbamic acid
PubChem CID69229967
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC Name4-[imidazo[1,2-a]pyridin-2-ylmethyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]butylcarbamic acid
SMILESO=C(O)NCCCCN(Cc1cn2ccccc2n1)C1CCCc2cccnc21
InChIInChI=1S/C22H27N5O2/c28-22(29)24-11-2-4-13-26(15-18-16-27-14-3-1-10-20(27)25-18)19-9-5-7-17-8-6-12-23-21(17)19/h1,3,6,8,10,12,14,16,19,24H,2,4-5,7,9,11,13,15H2,(H,28,29)
InChIKeyHGEYKEDQLNUDCC-UHFFFAOYSA-N
XLogP3.66
TPSA82.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[imidazo[1,2-a]pyridin-2-ylmethyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]butylcarbamic acid with MolForge

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Related Compounds

tert-butyl N-[3-[benzyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]propyl]carbamate
CID 141069479
2-[2,3-dihydro-1H-inden-1-yl(imidazo[1,2-a]pyridin-2-ylmethyl)amino]ethanol
CID 111333542
N'-[(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methyl]-N'-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine
CID 59761359
N-benzyl-N'-(9H-indeno[2,1-c]pyridin-1-ylmethyl)-N'-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine
CID 158132953
N-[3-[1H-benzimidazol-2-ylmethyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]propyl]pyrazine-2-carboxamide
CID 59694122
tert-butyl 2-[4-[9H-indeno[2,1-c]pyridin-1-ylmethyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]butyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate
CID 59176447
2-[3-[[4-aminobutyl-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]pyrido[3,4-b]indol-9-yl]acetamide
CID 121284940
N'-[(1-cyclohexa-1,5-dien-1-yltriazol-4-yl)methyl]-N-(4,5-dihydro-1H-imidazol-2-yl)-N'-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine
CID 143870530
N'-(1H-benzimidazol-2-ylmethyl)-N-(pyrimidin-2-ylmethyl)-N'-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine;methane
CID 157089610
(8S)-N-(9H-indeno[2,1-c]pyridin-1-ylmethyl)-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 159311792
2-[1-[[4-aminobutyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrido[3,4-b]indol-9-yl]acetic acid
CID 72535441
N'-[(3-chloro-2-pyridinyl)methyl]-N'-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine
CID 25177627

Frequently Asked Questions

What is the IUPAC name of 4-[imidazo[1,2-a]pyridin-2-ylmethyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]butylcarbamic acid?
The IUPAC name of 4-[imidazo[1,2-a]pyridin-2-ylmethyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]butylcarbamic acid (CID 69229967) is 4-[imidazo[1,2-a]pyridin-2-ylmethyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]butylcarbamic acid.
What is the SMILES notation for 4-[imidazo[1,2-a]pyridin-2-ylmethyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]butylcarbamic acid?
The canonical SMILES for 4-[imidazo[1,2-a]pyridin-2-ylmethyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]butylcarbamic acid is O=C(O)NCCCCN(Cc1cn2ccccc2n1)C1CCCc2cccnc21.
What is the InChIKey of 4-[imidazo[1,2-a]pyridin-2-ylmethyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]butylcarbamic acid?
The InChIKey is HGEYKEDQLNUDCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2/c28-22(29)24-11-2-4-13-26(15-18-16-27-14-3-1-10-20(27)25-18)19-9-5-7-17-8-6-12-23-21(17)19/h1,3,6,8,10,12,14,16,19,24H,2,4-5,7,9,11,13,15H2,(H,28,29).
What are the key properties of 4-[imidazo[1,2-a]pyridin-2-ylmethyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]butylcarbamic acid?
4-[imidazo[1,2-a]pyridin-2-ylmethyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]butylcarbamic acid has a molecular weight of 393.49 g/mol, XLogP of 3.66, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[imidazo[1,2-a]pyridin-2-ylmethyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]butylcarbamic acid is sourced from PubChem (CID 69229967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).