N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-(3,4-difluorophenyl)cyclopropane-1-carboxamide

C18H14BrF2N3O — CID 86903374

IUPACN-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-(3,4-difluorophenyl)cyclopropane-1-carboxamide
SMILESO=C(NCc1cn2cc(Br)ccc2n1)C1CC1c1ccc(F)c(F)c1
InChIInChI=1S/C18H14BrF2N3O/c19-11-2-4-17-23-12(9-24(17)8-11)7-22-18(25)14-6-13(14)10-1-3-15(20)16(21)5-10/h1-5,8-9,13-14H,6-7H2,(H,22,25)
InChIKeySEVXNOFBQMQVTR-UHFFFAOYSA-N
MW406.23 g/mol
LogP3.79
Rot. Bonds4

About N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-(3,4-difluorophenyl)cyclopropane-1-carboxamide

N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-(3,4-difluorophenyl)cyclopropane-1-carboxamide (PubChem CID 86903374) has the molecular formula C18H14BrF2N3O and a molecular weight of 406.23 g/mol. Its IUPAC name is N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-(3,4-difluorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-(3,4-difluorophenyl)cyclopropane-1-carboxamide
PubChem CID86903374
Molecular FormulaC18H14BrF2N3O
Molecular Weight406.23 g/mol
Exact Mass405.03
IUPAC NameN-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-(3,4-difluorophenyl)cyclopropane-1-carboxamide
SMILESO=C(NCc1cn2cc(Br)ccc2n1)C1CC1c1ccc(F)c(F)c1
InChIInChI=1S/C18H14BrF2N3O/c19-11-2-4-17-23-12(9-24(17)8-11)7-22-18(25)14-6-13(14)10-1-3-15(20)16(21)5-10/h1-5,8-9,13-14H,6-7H2,(H,22,25)
InChIKeySEVXNOFBQMQVTR-UHFFFAOYSA-N
XLogP3.79
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.23
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-difluorophenyl)-N-[2-(methylamino)ethyl]cyclopropane-1-carboxamide
CID 119503198
cis-(1S,2R)-2-(3,4-difluorophenyl)-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]cyclopropane-1-carboxamide
CID 136692944
cis-(1S,2R)-2-(4-fluorophenyl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)cyclopropane-1-carboxamide
CID 31008529
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-(3-chloro-4-fluorophenoxy)acetamide
CID 55976005
(2S,3R)-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 52533653
2-(3,4-difluorophenyl)-N-[3-(methylamino)propyl]cyclopropane-1-carboxamide
CID 119433012
4-[[2-(3,4-difluorophenyl)cyclopropanecarbonyl]amino]butanoic acid
CID 119352986
2-(3,4-difluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]cyclopropane-1-carboxamide
CID 71863788
2-(3,4-difluorophenyl)-N-[2-(methylamino)propyl]cyclopropane-1-carboxamide
CID 120831797
trans-(1S,2S)-2-(3,4-difluorophenyl)-N-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 99805849
N-[3-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylamino]-3-oxopropyl]-4-chlorobenzamide
CID 55977015
2-(3,4-difluorophenyl)-N-[2-(methylamino)propyl]cyclopropane-1-carboxamide;hydrochloride
CID 120831796

Frequently Asked Questions

What is the IUPAC name of N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-(3,4-difluorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-(3,4-difluorophenyl)cyclopropane-1-carboxamide (CID 86903374) is N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-(3,4-difluorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-(3,4-difluorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-(3,4-difluorophenyl)cyclopropane-1-carboxamide is O=C(NCc1cn2cc(Br)ccc2n1)C1CC1c1ccc(F)c(F)c1.
What is the InChIKey of N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-(3,4-difluorophenyl)cyclopropane-1-carboxamide?
The InChIKey is SEVXNOFBQMQVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrF2N3O/c19-11-2-4-17-23-12(9-24(17)8-11)7-22-18(25)14-6-13(14)10-1-3-15(20)16(21)5-10/h1-5,8-9,13-14H,6-7H2,(H,22,25).
What are the key properties of N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-(3,4-difluorophenyl)cyclopropane-1-carboxamide?
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-(3,4-difluorophenyl)cyclopropane-1-carboxamide has a molecular weight of 406.23 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-(3,4-difluorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 86903374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).