ethane;N-[5-[(1S)-1-[(3-fluorophenyl)carbamoylamino]ethyl]-2-methylphenyl]-7-(2-methoxyethoxy)imidazo[1,2-a]pyridine-3-carboxamide

C29H34FN5O4 — CID 144771651

IUPACethane;N-[5-[(1S)-1-[(3-fluorophenyl)carbamoylamino]ethyl]-2-methylphenyl]-7-(2-methoxyethoxy)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCC.COCCOc1ccn2c(C(=O)Nc3cc([C@H](C)NC(=O)Nc4cccc(F)c4)ccc3C)cnc2c1
InChIInChI=1S/C27H28FN5O4.C2H6/c1-17-7-8-19(18(2)30-27(35)31-21-6-4-5-20(28)14-21)13-23(17)32-26(34)24-16-29-25-15-22(9-10-33(24)25)37-12-11-36-3;1-2/h4-10,13-16,18H,11-12H2,1-3H3,(H,32,34)(H2,30,31,35);1-2H3/t18-;/m0./s1
InChIKeyLHXFCUHCOJJOFM-FERBBOLQSA-N
MW535.62 g/mol
LogP5.97
Rot. Bonds9

About ethane;N-[5-[(1S)-1-[(3-fluorophenyl)carbamoylamino]ethyl]-2-methylphenyl]-7-(2-methoxyethoxy)imidazo[1,2-a]pyridine-3-carboxamide

ethane;N-[5-[(1S)-1-[(3-fluorophenyl)carbamoylamino]ethyl]-2-methylphenyl]-7-(2-methoxyethoxy)imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 144771651) has the molecular formula C29H34FN5O4 and a molecular weight of 535.62 g/mol. Its IUPAC name is ethane;N-[5-[(1S)-1-[(3-fluorophenyl)carbamoylamino]ethyl]-2-methylphenyl]-7-(2-methoxyethoxy)imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Nameethane;N-[5-[(1S)-1-[(3-fluorophenyl)carbamoylamino]ethyl]-2-methylphenyl]-7-(2-methoxyethoxy)imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID144771651
Molecular FormulaC29H34FN5O4
Molecular Weight535.62 g/mol
Exact Mass535.26
IUPAC Nameethane;N-[5-[(1S)-1-[(3-fluorophenyl)carbamoylamino]ethyl]-2-methylphenyl]-7-(2-methoxyethoxy)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCC.COCCOc1ccn2c(C(=O)Nc3cc([C@H](C)NC(=O)Nc4cccc(F)c4)ccc3C)cnc2c1
InChIInChI=1S/C27H28FN5O4.C2H6/c1-17-7-8-19(18(2)30-27(35)31-21-6-4-5-20(28)14-21)13-23(17)32-26(34)24-16-29-25-15-22(9-10-33(24)25)37-12-11-36-3;1-2/h4-10,13-16,18H,11-12H2,1-3H3,(H,32,34)(H2,30,31,35);1-2H3/t18-;/m0./s1
InChIKeyLHXFCUHCOJJOFM-FERBBOLQSA-N
XLogP5.97
TPSA105.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.62
LogP ≤ 55.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethane;N-[5-[(1S)-1-[(3-fluorophenyl)carbamoylamino]ethyl]-2-methylphenyl]-7-(2-hydroxyethoxy)imidazo[1,2-a]pyridine-3-carboxamide
CID 144771693
N-[5-[(1S)-1-[[3-(2,2-difluoroethoxy)benzoyl]amino]ethyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 86764466
N-[5-[(1S)-1-[[5-[(dimethylamino)methyl]-2-fluorophenyl]carbamoylamino]ethyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 86764686
1-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-[3-(2-methoxyethoxy)phenyl]urea
CID 87010141
1-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]ethanone
CID 165143384
N-[2-methyl-5-[1-(1,2,3,4-tetrahydroisoquinolin-5-ylcarbamoylamino)ethyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 123738439
N-[2-methyl-5-[1-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)carbamoylamino]ethyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 123966006
N-[1-(cyclopropylmethyl)-3-methylindazol-4-yl]-7-(2-methoxyethoxy)imidazo[1,2-a]pyridine-3-carboxamide
CID 57387873
2-[[4-[[7-(2-methoxyethoxy)imidazo[1,2-a]pyridine-3-carbonyl]amino]indazol-1-yl]methyl]benzoic acid
CID 67976926
[(E)-1-[4-methyl-3-[(7-phenylmethoxyimidazo[1,2-a]pyridine-3-carbonyl)amino]phenyl]ethylideneamino] hypofluorite
CID 171796662
N-[5-(formamidomethyl)-2-methylphenyl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide
CID 144771697
2-[(3-fluorophenyl)carbamoylamino]-3-methoxypropanoic acid
CID 81077248

Frequently Asked Questions

What is the IUPAC name of ethane;N-[5-[(1S)-1-[(3-fluorophenyl)carbamoylamino]ethyl]-2-methylphenyl]-7-(2-methoxyethoxy)imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of ethane;N-[5-[(1S)-1-[(3-fluorophenyl)carbamoylamino]ethyl]-2-methylphenyl]-7-(2-methoxyethoxy)imidazo[1,2-a]pyridine-3-carboxamide (CID 144771651) is ethane;N-[5-[(1S)-1-[(3-fluorophenyl)carbamoylamino]ethyl]-2-methylphenyl]-7-(2-methoxyethoxy)imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for ethane;N-[5-[(1S)-1-[(3-fluorophenyl)carbamoylamino]ethyl]-2-methylphenyl]-7-(2-methoxyethoxy)imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for ethane;N-[5-[(1S)-1-[(3-fluorophenyl)carbamoylamino]ethyl]-2-methylphenyl]-7-(2-methoxyethoxy)imidazo[1,2-a]pyridine-3-carboxamide is CC.COCCOc1ccn2c(C(=O)Nc3cc([C@H](C)NC(=O)Nc4cccc(F)c4)ccc3C)cnc2c1.
What is the InChIKey of ethane;N-[5-[(1S)-1-[(3-fluorophenyl)carbamoylamino]ethyl]-2-methylphenyl]-7-(2-methoxyethoxy)imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is LHXFCUHCOJJOFM-FERBBOLQSA-N. The full InChI is InChI=1S/C27H28FN5O4.C2H6/c1-17-7-8-19(18(2)30-27(35)31-21-6-4-5-20(28)14-21)13-23(17)32-26(34)24-16-29-25-15-22(9-10-33(24)25)37-12-11-36-3;1-2/h4-10,13-16,18H,11-12H2,1-3H3,(H,32,34)(H2,30,31,35);1-2H3/t18-;/m0./s1.
What are the key properties of ethane;N-[5-[(1S)-1-[(3-fluorophenyl)carbamoylamino]ethyl]-2-methylphenyl]-7-(2-methoxyethoxy)imidazo[1,2-a]pyridine-3-carboxamide?
ethane;N-[5-[(1S)-1-[(3-fluorophenyl)carbamoylamino]ethyl]-2-methylphenyl]-7-(2-methoxyethoxy)imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 535.62 g/mol, XLogP of 5.97, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[5-[(1S)-1-[(3-fluorophenyl)carbamoylamino]ethyl]-2-methylphenyl]-7-(2-methoxyethoxy)imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 144771651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).