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

C20H21ClF2N4O2 — CID 86717962

IUPACN-(2-amino-2-methylpropyl)-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)(C)N
InChIInChI=1S/C20H21ClF2N4O2/c1-11-17(19(28)25-10-20(2,3)24)27-8-12(21)7-16(18(27)26-11)29-9-13-14(22)5-4-6-15(13)23/h4-8H,9-10,24H2,1-3H3,(H,25,28)
InChIKeyZRRACGOFZMHSPK-UHFFFAOYSA-N
MW422.86 g/mol
LogP3.62
Rot. Bonds6

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

N-(2-amino-2-methylpropyl)-6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 86717962) has the molecular formula C20H21ClF2N4O2 and a molecular weight of 422.86 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID86717962
Molecular FormulaC20H21ClF2N4O2
Molecular Weight422.86 g/mol
Exact Mass422.13
IUPAC NameN-(2-amino-2-methylpropyl)-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)(C)N
InChIInChI=1S/C20H21ClF2N4O2/c1-11-17(19(28)25-10-20(2,3)24)27-8-12(21)7-16(18(27)26-11)29-9-13-14(22)5-4-6-15(13)23/h4-8H,9-10,24H2,1-3H3,(H,25,28)
InChIKeyZRRACGOFZMHSPK-UHFFFAOYSA-N
XLogP3.62
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.86
LogP ≤ 53.62
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-methylpropyl)-6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-(2-amino-2-methylpropyl)-6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide (CID 86717962) is N-(2-amino-2-methylpropyl)-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-methylpropyl)-6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-(2-amino-2-methylpropyl)-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)(C)N.
What is the InChIKey of N-(2-amino-2-methylpropyl)-6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is ZRRACGOFZMHSPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClF2N4O2/c1-11-17(19(28)25-10-20(2,3)24)27-8-12(21)7-16(18(27)26-11)29-9-13-14(22)5-4-6-15(13)23/h4-8H,9-10,24H2,1-3H3,(H,25,28).
What are the key properties of N-(2-amino-2-methylpropyl)-6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
N-(2-amino-2-methylpropyl)-6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 422.86 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 86717962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).