N-(2-amino-2,4-dimethylpentyl)-6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide

C23H27ClF2N4O2 — CID 90114332

IUPACN-(2-amino-2,4-dimethylpentyl)-6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc2c(OCc3c(F)cccc3F)cc(Cl)cn2c1C(=O)NCC(C)(N)CC(C)C
InChIInChI=1S/C23H27ClF2N4O2/c1-13(2)9-23(4,27)12-28-22(31)20-14(3)29-21-19(8-15(24)10-30(20)21)32-11-16-17(25)6-5-7-18(16)26/h5-8,10,13H,9,11-12,27H2,1-4H3,(H,28,31)
InChIKeyAFZPOYDJUGELNP-UHFFFAOYSA-N
MW464.94 g/mol
LogP4.65
Rot. Bonds8

About N-(2-amino-2,4-dimethylpentyl)-6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide

N-(2-amino-2,4-dimethylpentyl)-6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 90114332) has the molecular formula C23H27ClF2N4O2 and a molecular weight of 464.94 g/mol. Its IUPAC name is N-(2-amino-2,4-dimethylpentyl)-6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2,4-dimethylpentyl)-6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID90114332
Molecular FormulaC23H27ClF2N4O2
Molecular Weight464.94 g/mol
Exact Mass464.18
IUPAC NameN-(2-amino-2,4-dimethylpentyl)-6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc2c(OCc3c(F)cccc3F)cc(Cl)cn2c1C(=O)NCC(C)(N)CC(C)C
InChIInChI=1S/C23H27ClF2N4O2/c1-13(2)9-23(4,27)12-28-22(31)20-14(3)29-21-19(8-15(24)10-30(20)21)32-11-16-17(25)6-5-7-18(16)26/h5-8,10,13H,9,11-12,27H2,1-4H3,(H,28,31)
InChIKeyAFZPOYDJUGELNP-UHFFFAOYSA-N
XLogP4.65
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.94
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2,4-dimethylpentyl)-6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-(2-amino-2,4-dimethylpentyl)-6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide (CID 90114332) is N-(2-amino-2,4-dimethylpentyl)-6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-(2-amino-2,4-dimethylpentyl)-6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-(2-amino-2,4-dimethylpentyl)-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(C)(N)CC(C)C.
What is the InChIKey of N-(2-amino-2,4-dimethylpentyl)-6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is AFZPOYDJUGELNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClF2N4O2/c1-13(2)9-23(4,27)12-28-22(31)20-14(3)29-21-19(8-15(24)10-30(20)21)32-11-16-17(25)6-5-7-18(16)26/h5-8,10,13H,9,11-12,27H2,1-4H3,(H,28,31).
What are the key properties of N-(2-amino-2,4-dimethylpentyl)-6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
N-(2-amino-2,4-dimethylpentyl)-6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 464.94 g/mol, XLogP of 4.65, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2,4-dimethylpentyl)-6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 90114332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).