[1-[[6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-3-methylbutan-2-yl]carbamic acid

C22H23ClF2N4O4 — CID 90113876

IUPAC[1-[[6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-3-methylbutan-2-yl]carbamic acid
SMILESCc1nc2c(OCc3c(F)cccc3F)cc(Cl)cn2c1C(=O)NCC(NC(=O)O)C(C)C
InChIInChI=1S/C22H23ClF2N4O4/c1-11(2)17(28-22(31)32)8-26-21(30)19-12(3)27-20-18(7-13(23)9-29(19)20)33-10-14-15(24)5-4-6-16(14)25/h4-7,9,11,17,28H,8,10H2,1-3H3,(H,26,30)(H,31,32)
InChIKeyZHEKTAQQKSHIEK-UHFFFAOYSA-N
MW480.90 g/mol
LogP4.18
Rot. Bonds8

About [1-[[6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-3-methylbutan-2-yl]carbamic acid

[1-[[6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-3-methylbutan-2-yl]carbamic acid (PubChem CID 90113876) has the molecular formula C22H23ClF2N4O4 and a molecular weight of 480.90 g/mol. Its IUPAC name is [1-[[6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-3-methylbutan-2-yl]carbamic acid.

Molecular Properties

Compound Name[1-[[6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-3-methylbutan-2-yl]carbamic acid
PubChem CID90113876
Molecular FormulaC22H23ClF2N4O4
Molecular Weight480.90 g/mol
Exact Mass480.14
IUPAC Name[1-[[6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-3-methylbutan-2-yl]carbamic acid
SMILESCc1nc2c(OCc3c(F)cccc3F)cc(Cl)cn2c1C(=O)NCC(NC(=O)O)C(C)C
InChIInChI=1S/C22H23ClF2N4O4/c1-11(2)17(28-22(31)32)8-26-21(30)19-12(3)27-20-18(7-13(23)9-29(19)20)33-10-14-15(24)5-4-6-16(14)25/h4-7,9,11,17,28H,8,10H2,1-3H3,(H,26,30)(H,31,32)
InChIKeyZHEKTAQQKSHIEK-UHFFFAOYSA-N
XLogP4.18
TPSA104.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.90
LogP ≤ 54.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[[6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-3-methylbutan-2-yl]carbamic acid?
The IUPAC name of [1-[[6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-3-methylbutan-2-yl]carbamic acid (CID 90113876) is [1-[[6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-3-methylbutan-2-yl]carbamic acid.
What is the SMILES notation for [1-[[6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-3-methylbutan-2-yl]carbamic acid?
The canonical SMILES for [1-[[6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-3-methylbutan-2-yl]carbamic acid is Cc1nc2c(OCc3c(F)cccc3F)cc(Cl)cn2c1C(=O)NCC(NC(=O)O)C(C)C.
What is the InChIKey of [1-[[6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-3-methylbutan-2-yl]carbamic acid?
The InChIKey is ZHEKTAQQKSHIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClF2N4O4/c1-11(2)17(28-22(31)32)8-26-21(30)19-12(3)27-20-18(7-13(23)9-29(19)20)33-10-14-15(24)5-4-6-16(14)25/h4-7,9,11,17,28H,8,10H2,1-3H3,(H,26,30)(H,31,32).
What are the key properties of [1-[[6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-3-methylbutan-2-yl]carbamic acid?
[1-[[6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-3-methylbutan-2-yl]carbamic acid has a molecular weight of 480.90 g/mol, XLogP of 4.18, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-3-methylbutan-2-yl]carbamic acid is sourced from PubChem (CID 90113876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).