1-[6-[3,4-difluoro-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethoxy]phenyl]imidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine

C23H25F2N5O — CID 178168601

IUPAC1-[6-[3,4-difluoro-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethoxy]phenyl]imidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine
SMILESCNCc1cnc2ccc(-c3ccc(F)c(F)c3OCCc3c(C)nn(C)c3C)cn12
InChIInChI=1S/C23H25F2N5O/c1-14-18(15(2)29(4)28-14)9-10-31-23-19(6-7-20(24)22(23)25)16-5-8-21-27-12-17(11-26-3)30(21)13-16/h5-8,12-13,26H,9-11H2,1-4H3
InChIKeyMBHZWGRXKBANKG-UHFFFAOYSA-N
MW425.48 g/mol
LogP3.97
Rot. Bonds7

About 1-[6-[3,4-difluoro-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethoxy]phenyl]imidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine

1-[6-[3,4-difluoro-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethoxy]phenyl]imidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine (PubChem CID 178168601) has the molecular formula C23H25F2N5O and a molecular weight of 425.48 g/mol. Its IUPAC name is 1-[6-[3,4-difluoro-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethoxy]phenyl]imidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[6-[3,4-difluoro-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethoxy]phenyl]imidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine
PubChem CID178168601
Molecular FormulaC23H25F2N5O
Molecular Weight425.48 g/mol
Exact Mass425.20
IUPAC Name1-[6-[3,4-difluoro-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethoxy]phenyl]imidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine
SMILESCNCc1cnc2ccc(-c3ccc(F)c(F)c3OCCc3c(C)nn(C)c3C)cn12
InChIInChI=1S/C23H25F2N5O/c1-14-18(15(2)29(4)28-14)9-10-31-23-19(6-7-20(24)22(23)25)16-5-8-21-27-12-17(11-26-3)30(21)13-16/h5-8,12-13,26H,9-11H2,1-4H3
InChIKeyMBHZWGRXKBANKG-UHFFFAOYSA-N
XLogP3.97
TPSA56.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.48
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(1R)-1-[4-[2-[2,3-difluoro-6-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]-2,2-dimethylpropan-1-ol
CID 172639755
(1S)-1-[4-[2-[2,3-difluoro-6-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]-2,2-dimethylpropan-1-ol
CID 172639754
1-[4-[2-[2,3-difluoro-6-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]-2-methylpropan-1-ol
CID 171065805
2-cyclopropyl-1-[4-[2-[2,3-difluoro-6-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]-2-methylpropan-1-ol
CID 178168735
1-[4-[2-[6-[3-[(benzylamino)methyl]imidazo[1,2-a]pyridin-6-yl]-2,3-difluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]-2,2-dimethylpropan-1-ol
CID 178168446
1-[4-[2-[6-[3-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-6-yl]-2,3-difluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]-2,2-dimethylpropan-1-ol
CID 171065712
4-[2-[5-fluoro-2-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxylic acid
CID 137365880
1-[6-[2-[2-[1,5-dimethyl-3-(methylsulfonylmethyl)pyrazol-4-yl]ethoxy]-4-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine
CID 137365922
1-[4-[2-[5-fluoro-2-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]-2,2-dimethylpropan-1-ol
CID 171065693
2-cyclopropyl-1-[4-[2-[2,3-difluoro-6-[3-[(pyridin-3-ylmethylamino)methyl]imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]-2-methylpropan-1-ol
CID 178168599
1-[1,5-dimethyl-4-[2-[7-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-6-yl]quinolin-8-yl]oxyethyl]pyrazol-3-yl]-2,2-dimethylpropan-1-ol
CID 178168695
5-[3,4-difluoro-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethoxy]phenyl]-1-methyl-3-propylindazole
CID 147151139

Frequently Asked Questions

What is the IUPAC name of 1-[6-[3,4-difluoro-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethoxy]phenyl]imidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[6-[3,4-difluoro-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethoxy]phenyl]imidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine (CID 178168601) is 1-[6-[3,4-difluoro-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethoxy]phenyl]imidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[6-[3,4-difluoro-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethoxy]phenyl]imidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[6-[3,4-difluoro-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethoxy]phenyl]imidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine is CNCc1cnc2ccc(-c3ccc(F)c(F)c3OCCc3c(C)nn(C)c3C)cn12.
What is the InChIKey of 1-[6-[3,4-difluoro-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethoxy]phenyl]imidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine?
The InChIKey is MBHZWGRXKBANKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F2N5O/c1-14-18(15(2)29(4)28-14)9-10-31-23-19(6-7-20(24)22(23)25)16-5-8-21-27-12-17(11-26-3)30(21)13-16/h5-8,12-13,26H,9-11H2,1-4H3.
What are the key properties of 1-[6-[3,4-difluoro-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethoxy]phenyl]imidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine?
1-[6-[3,4-difluoro-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethoxy]phenyl]imidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine has a molecular weight of 425.48 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[3,4-difluoro-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethoxy]phenyl]imidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine is sourced from PubChem (CID 178168601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).