2-N-(4-methoxyphenyl)-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-2,5-diamine

C20H16F3N5O — CID 118101444

IUPAC2-N-(4-methoxyphenyl)-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-2,5-diamine
SMILESCOc1ccc(Nc2ccc(N)c(-c3c(C(F)(F)F)nc4ccccn34)n2)cc1
InChIInChI=1S/C20H16F3N5O/c1-29-13-7-5-12(6-8-13)25-15-10-9-14(24)17(26-15)18-19(20(21,22)23)27-16-4-2-3-11-28(16)18/h2-11H,24H2,1H3,(H,25,26)
InChIKeyBNKUIQSMXJKGTP-UHFFFAOYSA-N
MW399.38 g/mol
LogP4.75
Rot. Bonds4

About 2-N-(4-methoxyphenyl)-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-2,5-diamine

2-N-(4-methoxyphenyl)-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-2,5-diamine (PubChem CID 118101444) has the molecular formula C20H16F3N5O and a molecular weight of 399.38 g/mol. Its IUPAC name is 2-N-(4-methoxyphenyl)-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-(4-methoxyphenyl)-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-2,5-diamine
PubChem CID118101444
Molecular FormulaC20H16F3N5O
Molecular Weight399.38 g/mol
Exact Mass399.13
IUPAC Name2-N-(4-methoxyphenyl)-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-2,5-diamine
SMILESCOc1ccc(Nc2ccc(N)c(-c3c(C(F)(F)F)nc4ccccn34)n2)cc1
InChIInChI=1S/C20H16F3N5O/c1-29-13-7-5-12(6-8-13)25-15-10-9-14(24)17(26-15)18-19(20(21,22)23)27-16-4-2-3-11-28(16)18/h2-11H,24H2,1H3,(H,25,26)
InChIKeyBNKUIQSMXJKGTP-UHFFFAOYSA-N
XLogP4.75
TPSA77.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.38
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methoxyphenyl)-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-amine
CID 91799361
N-[4-(trifluoromethoxy)phenyl]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine
CID 118101462
N-(3-chloro-4-methoxyphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine
CID 74767343
4-[[6-[6-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]amino]phenol
CID 118094614
2-N-[4-(difluoromethoxy)phenyl]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3,5-triazine-2,4-diamine
CID 118095500
2-methoxy-N-[6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-yl]pyrimidin-5-amine
CID 118101407
2-[6-bromo-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-(4-methoxyphenyl)pyrimidin-4-amine;2-[6-bromo-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 162144012
6-[6-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-phenylpyrazin-2-amine
CID 118094659
4-methylsulfanyl-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine
CID 118101404
N,2-bis(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-amine
CID 58564445
N-(4-chlorophenyl)-6-[6-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-amine
CID 118094925
3-(4-methoxyphenyl)imidazo[1,2-a]pyridin-2-amine
CID 162644222

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-methoxyphenyl)-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-2,5-diamine?
The IUPAC name of 2-N-(4-methoxyphenyl)-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-2,5-diamine (CID 118101444) is 2-N-(4-methoxyphenyl)-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-2,5-diamine.
What is the SMILES notation for 2-N-(4-methoxyphenyl)-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-2,5-diamine?
The canonical SMILES for 2-N-(4-methoxyphenyl)-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-2,5-diamine is COc1ccc(Nc2ccc(N)c(-c3c(C(F)(F)F)nc4ccccn34)n2)cc1.
What is the InChIKey of 2-N-(4-methoxyphenyl)-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-2,5-diamine?
The InChIKey is BNKUIQSMXJKGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N5O/c1-29-13-7-5-12(6-8-13)25-15-10-9-14(24)17(26-15)18-19(20(21,22)23)27-16-4-2-3-11-28(16)18/h2-11H,24H2,1H3,(H,25,26).
What are the key properties of 2-N-(4-methoxyphenyl)-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-2,5-diamine?
2-N-(4-methoxyphenyl)-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-2,5-diamine has a molecular weight of 399.38 g/mol, XLogP of 4.75, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-methoxyphenyl)-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-2,5-diamine is sourced from PubChem (CID 118101444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).