N-[(2-amino-2-methylbutyl)carbamoyl]-8-[(2,6-difluorophenyl)methoxy]-6-(fluoromethyl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide

C23H26F3N5O3 — CID 129304662

IUPACN-[(2-amino-2-methylbutyl)carbamoyl]-8-[(2,6-difluorophenyl)methoxy]-6-(fluoromethyl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCCC(C)(N)CNC(=O)NC(=O)c1c(C)nc2c(OCc3c(F)cccc3F)cc(CF)cn12
InChIInChI=1S/C23H26F3N5O3/c1-4-23(3,27)12-28-22(33)30-21(32)19-13(2)29-20-18(8-14(9-24)10-31(19)20)34-11-15-16(25)6-5-7-17(15)26/h5-8,10H,4,9,11-12,27H2,1-3H3,(H2,28,30,32,33)
InChIKeyMVSCKERYEWRWCI-UHFFFAOYSA-N
MW477.49 g/mol
LogP3.54
Rot. Bonds8

About N-[(2-amino-2-methylbutyl)carbamoyl]-8-[(2,6-difluorophenyl)methoxy]-6-(fluoromethyl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide

N-[(2-amino-2-methylbutyl)carbamoyl]-8-[(2,6-difluorophenyl)methoxy]-6-(fluoromethyl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 129304662) has the molecular formula C23H26F3N5O3 and a molecular weight of 477.49 g/mol. Its IUPAC name is N-[(2-amino-2-methylbutyl)carbamoyl]-8-[(2,6-difluorophenyl)methoxy]-6-(fluoromethyl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-amino-2-methylbutyl)carbamoyl]-8-[(2,6-difluorophenyl)methoxy]-6-(fluoromethyl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID129304662
Molecular FormulaC23H26F3N5O3
Molecular Weight477.49 g/mol
Exact Mass477.20
IUPAC NameN-[(2-amino-2-methylbutyl)carbamoyl]-8-[(2,6-difluorophenyl)methoxy]-6-(fluoromethyl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCCC(C)(N)CNC(=O)NC(=O)c1c(C)nc2c(OCc3c(F)cccc3F)cc(CF)cn12
InChIInChI=1S/C23H26F3N5O3/c1-4-23(3,27)12-28-22(33)30-21(32)19-13(2)29-20-18(8-14(9-24)10-31(19)20)34-11-15-16(25)6-5-7-17(15)26/h5-8,10H,4,9,11-12,27H2,1-3H3,(H2,28,30,32,33)
InChIKeyMVSCKERYEWRWCI-UHFFFAOYSA-N
XLogP3.54
TPSA110.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.49
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-amino-2-methylbutyl)-8-[(2,6-difluorophenyl)methoxy]-6-(fluoromethyl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 90251291
8-[(2,6-difluorophenyl)methoxy]-6-(fluoromethyl)-2-methyl-N-[(2-methylaziridin-2-yl)methylcarbamoyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 129304663
N-(2-amino-2-methylbutyl)-8-[(2,6-difluorophenyl)methoxy]-6-methoxy-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 86724740
[1-[[8-[(2,6-difluorophenyl)methoxy]-6-(fluoromethyl)-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-methylbutan-2-yl]carbamic acid
CID 118389660
[1-[[8-[(2,6-difluorophenyl)methoxy]-6-(fluoromethyl)-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-3-fluoro-2-methylpropan-2-yl]carbamic acid
CID 118389641
N-(2-amino-2-methylpentyl)-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide
CID 90114235
N-(2-amino-3-fluoro-2-methylpropyl)-6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 118493182
benzyl N-[1-[[8-[(2,6-difluorophenyl)methoxy]-6-(fluoromethyl)-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-3-fluoro-2-methylpropan-2-yl]carbamate
CID 118403122
benzyl N-[1-[[8-[(2,6-difluorophenyl)methoxy]-6-(hydroxymethyl)-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-methylbutan-2-yl]carbamate
CID 118403120
[1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-methylbutan-2-yl]carbamic acid
CID 90114214
N-(2-amino-2-methylpentyl)-2,6-dimethyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxamide
CID 90232417
N-(2-amino-2-methylpentyl)-2,6-dimethyl-8-[(2,3,5,6-tetrafluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxamide
CID 90232791

Frequently Asked Questions

What is the IUPAC name of N-[(2-amino-2-methylbutyl)carbamoyl]-8-[(2,6-difluorophenyl)methoxy]-6-(fluoromethyl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[(2-amino-2-methylbutyl)carbamoyl]-8-[(2,6-difluorophenyl)methoxy]-6-(fluoromethyl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide (CID 129304662) is N-[(2-amino-2-methylbutyl)carbamoyl]-8-[(2,6-difluorophenyl)methoxy]-6-(fluoromethyl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[(2-amino-2-methylbutyl)carbamoyl]-8-[(2,6-difluorophenyl)methoxy]-6-(fluoromethyl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[(2-amino-2-methylbutyl)carbamoyl]-8-[(2,6-difluorophenyl)methoxy]-6-(fluoromethyl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide is CCC(C)(N)CNC(=O)NC(=O)c1c(C)nc2c(OCc3c(F)cccc3F)cc(CF)cn12.
What is the InChIKey of N-[(2-amino-2-methylbutyl)carbamoyl]-8-[(2,6-difluorophenyl)methoxy]-6-(fluoromethyl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is MVSCKERYEWRWCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F3N5O3/c1-4-23(3,27)12-28-22(33)30-21(32)19-13(2)29-20-18(8-14(9-24)10-31(19)20)34-11-15-16(25)6-5-7-17(15)26/h5-8,10H,4,9,11-12,27H2,1-3H3,(H2,28,30,32,33).
What are the key properties of N-[(2-amino-2-methylbutyl)carbamoyl]-8-[(2,6-difluorophenyl)methoxy]-6-(fluoromethyl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
N-[(2-amino-2-methylbutyl)carbamoyl]-8-[(2,6-difluorophenyl)methoxy]-6-(fluoromethyl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 477.49 g/mol, XLogP of 3.54, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-amino-2-methylbutyl)carbamoyl]-8-[(2,6-difluorophenyl)methoxy]-6-(fluoromethyl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 129304662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).