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

C21H23ClF2N4O2 — CID 86717984

IUPACN-(2-amino-3-methylbutyl)-6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc2c(OCc3c(F)cccc3F)cc(Cl)cn2c1C(=O)NCC(N)C(C)C
InChIInChI=1S/C21H23ClF2N4O2/c1-11(2)17(25)8-26-21(29)19-12(3)27-20-18(7-13(22)9-28(19)20)30-10-14-15(23)5-4-6-16(14)24/h4-7,9,11,17H,8,10,25H2,1-3H3,(H,26,29)
InChIKeyZZWUXLSGNJKJBF-UHFFFAOYSA-N
MW436.89 g/mol
LogP3.87
Rot. Bonds7

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

N-(2-amino-3-methylbutyl)-6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 86717984) has the molecular formula C21H23ClF2N4O2 and a molecular weight of 436.89 g/mol. Its IUPAC name is N-(2-amino-3-methylbutyl)-6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-3-methylbutyl)-6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID86717984
Molecular FormulaC21H23ClF2N4O2
Molecular Weight436.89 g/mol
Exact Mass436.15
IUPAC NameN-(2-amino-3-methylbutyl)-6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc2c(OCc3c(F)cccc3F)cc(Cl)cn2c1C(=O)NCC(N)C(C)C
InChIInChI=1S/C21H23ClF2N4O2/c1-11(2)17(25)8-26-21(29)19-12(3)27-20-18(7-13(22)9-28(19)20)30-10-14-15(23)5-4-6-16(14)24/h4-7,9,11,17H,8,10,25H2,1-3H3,(H,26,29)
InChIKeyZZWUXLSGNJKJBF-UHFFFAOYSA-N
XLogP3.87
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.89
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-3-methylbutyl)-6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-(2-amino-3-methylbutyl)-6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide (CID 86717984) is N-(2-amino-3-methylbutyl)-6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-(2-amino-3-methylbutyl)-6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-(2-amino-3-methylbutyl)-6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide is Cc1nc2c(OCc3c(F)cccc3F)cc(Cl)cn2c1C(=O)NCC(N)C(C)C.
What is the InChIKey of N-(2-amino-3-methylbutyl)-6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is ZZWUXLSGNJKJBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClF2N4O2/c1-11(2)17(25)8-26-21(29)19-12(3)27-20-18(7-13(22)9-28(19)20)30-10-14-15(23)5-4-6-16(14)24/h4-7,9,11,17H,8,10,25H2,1-3H3,(H,26,29).
What are the key properties of N-(2-amino-3-methylbutyl)-6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
N-(2-amino-3-methylbutyl)-6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 436.89 g/mol, XLogP of 3.87, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-3-methylbutyl)-6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 86717984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).