[2-amino-3-[2,6-difluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]benzoyl]imidazo[1,2-a]pyridin-6-yl]-(2,6-dichlorophenyl)methanone

C28H25Cl2F2N5O3 — CID 5330641

IUPAC[2-amino-3-[2,6-difluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]benzoyl]imidazo[1,2-a]pyridin-6-yl]-(2,6-dichlorophenyl)methanone
SMILESCN1CCN(CCOc2cc(F)c(C(=O)c3c(N)nc4ccc(C(=O)c5c(Cl)cccc5Cl)cn34)c(F)c2)CC1
InChIInChI=1S/C28H25Cl2F2N5O3/c1-35-7-9-36(10-8-35)11-12-40-17-13-20(31)24(21(32)14-17)27(39)25-28(33)34-22-6-5-16(15-37(22)25)26(38)23-18(29)3-2-4-19(23)30/h2-6,13-15H,7-12,33H2,1H3
InChIKeyDDPXHKZKKGHHCY-UHFFFAOYSA-N
MW588.44 g/mol
LogP4.59
Rot. Bonds8

About [2-amino-3-[2,6-difluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]benzoyl]imidazo[1,2-a]pyridin-6-yl]-(2,6-dichlorophenyl)methanone

[2-amino-3-[2,6-difluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]benzoyl]imidazo[1,2-a]pyridin-6-yl]-(2,6-dichlorophenyl)methanone (PubChem CID 5330641) has the molecular formula C28H25Cl2F2N5O3 and a molecular weight of 588.44 g/mol. Its IUPAC name is [2-amino-3-[2,6-difluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]benzoyl]imidazo[1,2-a]pyridin-6-yl]-(2,6-dichlorophenyl)methanone.

Molecular Properties

Compound Name[2-amino-3-[2,6-difluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]benzoyl]imidazo[1,2-a]pyridin-6-yl]-(2,6-dichlorophenyl)methanone
PubChem CID5330641
Molecular FormulaC28H25Cl2F2N5O3
Molecular Weight588.44 g/mol
Exact Mass587.13
IUPAC Name[2-amino-3-[2,6-difluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]benzoyl]imidazo[1,2-a]pyridin-6-yl]-(2,6-dichlorophenyl)methanone
SMILESCN1CCN(CCOc2cc(F)c(C(=O)c3c(N)nc4ccc(C(=O)c5c(Cl)cccc5Cl)cn34)c(F)c2)CC1
InChIInChI=1S/C28H25Cl2F2N5O3/c1-35-7-9-36(10-8-35)11-12-40-17-13-20(31)24(21(32)14-17)27(39)25-28(33)34-22-6-5-16(15-37(22)25)26(38)23-18(29)3-2-4-19(23)30/h2-6,13-15H,7-12,33H2,1H3
InChIKeyDDPXHKZKKGHHCY-UHFFFAOYSA-N
XLogP4.59
TPSA93.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500588.44
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [2-amino-3-[2,6-difluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]benzoyl]imidazo[1,2-a]pyridin-6-yl]-(2,6-dichlorophenyl)methanone with MolForge

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Related Compounds

Telacebec
CID 68234908
Aminoimidazo[1,2-a]pyridine deriv. 16
CID 5330616
Aminoimidazo[1,2-a]pyridine deriv. 20
CID 5330621
Aminoimidazo[1,2-a]pyridine deriv. 21
CID 5330639
Aminoimidazo[1,2-a]pyridine deriv. 22
CID 5330640
7-chloro-2-ethyl-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 68234753
6-chloro-2-ethyl-N-[[4-[4-(4-fluorophenoxy)-1-piperidyl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 68234767
6-chloro-2-ethyl-N-[[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 68235028
6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethyl)phenoxy]-1-piperidyl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71009976
[4-[[5-Chloro-3-(2-methyl-4-pyridinyl)-2-pyridinyl]oxy]phenyl]-(1-methylbenzimidazol-2-yl)methanone
CID 59327085
2-chloro-6-fluoro-N-[2-(4-methoxyphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]benzamide
CID 3588219
[2-Amino-3-[4-[2-(dimethylamino)ethoxy]-2,6-difluorobenzoyl]imidazo[1,2-a]pyridin-6-yl]-(2,6-dichlorophenyl)methanone
CID 44397218

Frequently Asked Questions

What is the IUPAC name of [2-amino-3-[2,6-difluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]benzoyl]imidazo[1,2-a]pyridin-6-yl]-(2,6-dichlorophenyl)methanone?
The IUPAC name of [2-amino-3-[2,6-difluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]benzoyl]imidazo[1,2-a]pyridin-6-yl]-(2,6-dichlorophenyl)methanone (CID 5330641) is [2-amino-3-[2,6-difluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]benzoyl]imidazo[1,2-a]pyridin-6-yl]-(2,6-dichlorophenyl)methanone.
What is the SMILES notation for [2-amino-3-[2,6-difluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]benzoyl]imidazo[1,2-a]pyridin-6-yl]-(2,6-dichlorophenyl)methanone?
The canonical SMILES for [2-amino-3-[2,6-difluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]benzoyl]imidazo[1,2-a]pyridin-6-yl]-(2,6-dichlorophenyl)methanone is CN1CCN(CCOc2cc(F)c(C(=O)c3c(N)nc4ccc(C(=O)c5c(Cl)cccc5Cl)cn34)c(F)c2)CC1.
What is the InChIKey of [2-amino-3-[2,6-difluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]benzoyl]imidazo[1,2-a]pyridin-6-yl]-(2,6-dichlorophenyl)methanone?
The InChIKey is DDPXHKZKKGHHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25Cl2F2N5O3/c1-35-7-9-36(10-8-35)11-12-40-17-13-20(31)24(21(32)14-17)27(39)25-28(33)34-22-6-5-16(15-37(22)25)26(38)23-18(29)3-2-4-19(23)30/h2-6,13-15H,7-12,33H2,1H3.
What are the key properties of [2-amino-3-[2,6-difluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]benzoyl]imidazo[1,2-a]pyridin-6-yl]-(2,6-dichlorophenyl)methanone?
[2-amino-3-[2,6-difluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]benzoyl]imidazo[1,2-a]pyridin-6-yl]-(2,6-dichlorophenyl)methanone has a molecular weight of 588.44 g/mol, XLogP of 4.59, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-3-[2,6-difluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]benzoyl]imidazo[1,2-a]pyridin-6-yl]-(2,6-dichlorophenyl)methanone is sourced from PubChem (CID 5330641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).