[2-amino-3-[4-[2-(diethylamino)ethoxy]-2,6-difluorobenzoyl]imidazo[1,2-a]pyridin-6-yl]-(2,6-dichlorophenyl)methanone

C27H24Cl2F2N4O3 — CID 5330640

IUPAC[2-amino-3-[4-[2-(diethylamino)ethoxy]-2,6-difluorobenzoyl]imidazo[1,2-a]pyridin-6-yl]-(2,6-dichlorophenyl)methanone
SMILESCCN(CC)CCOc1cc(F)c(C(=O)c2c(N)nc3ccc(C(=O)c4c(Cl)cccc4Cl)cn23)c(F)c1
InChIInChI=1S/C27H24Cl2F2N4O3/c1-3-34(4-2)10-11-38-16-12-19(30)23(20(31)13-16)26(37)24-27(32)33-21-9-8-15(14-35(21)24)25(36)22-17(28)6-5-7-18(22)29/h5-9,12-14H,3-4,10-11,32H2,1-2H3
InChIKeyKTCQHWZTQBQKIH-UHFFFAOYSA-N
MW561.42 g/mol
LogP5.68
Rot. Bonds10

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

[2-amino-3-[4-[2-(diethylamino)ethoxy]-2,6-difluorobenzoyl]imidazo[1,2-a]pyridin-6-yl]-(2,6-dichlorophenyl)methanone (PubChem CID 5330640) has the molecular formula C27H24Cl2F2N4O3 and a molecular weight of 561.42 g/mol. Its IUPAC name is [2-amino-3-[4-[2-(diethylamino)ethoxy]-2,6-difluorobenzoyl]imidazo[1,2-a]pyridin-6-yl]-(2,6-dichlorophenyl)methanone.

Molecular Properties

Compound Name[2-amino-3-[4-[2-(diethylamino)ethoxy]-2,6-difluorobenzoyl]imidazo[1,2-a]pyridin-6-yl]-(2,6-dichlorophenyl)methanone
PubChem CID5330640
Molecular FormulaC27H24Cl2F2N4O3
Molecular Weight561.42 g/mol
Exact Mass560.12
IUPAC Name[2-amino-3-[4-[2-(diethylamino)ethoxy]-2,6-difluorobenzoyl]imidazo[1,2-a]pyridin-6-yl]-(2,6-dichlorophenyl)methanone
SMILESCCN(CC)CCOc1cc(F)c(C(=O)c2c(N)nc3ccc(C(=O)c4c(Cl)cccc4Cl)cn23)c(F)c1
InChIInChI=1S/C27H24Cl2F2N4O3/c1-3-34(4-2)10-11-38-16-12-19(30)23(20(31)13-16)26(37)24-27(32)33-21-9-8-15(14-35(21)24)25(36)22-17(28)6-5-7-18(22)29/h5-9,12-14H,3-4,10-11,32H2,1-2H3
InChIKeyKTCQHWZTQBQKIH-UHFFFAOYSA-N
XLogP5.68
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.42
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-amino-3-[4-[2-(diethylamino)ethoxy]-2,6-difluorobenzoyl]imidazo[1,2-a]pyridin-6-yl]-(2,6-dichlorophenyl)methanone?
The IUPAC name of [2-amino-3-[4-[2-(diethylamino)ethoxy]-2,6-difluorobenzoyl]imidazo[1,2-a]pyridin-6-yl]-(2,6-dichlorophenyl)methanone (CID 5330640) is [2-amino-3-[4-[2-(diethylamino)ethoxy]-2,6-difluorobenzoyl]imidazo[1,2-a]pyridin-6-yl]-(2,6-dichlorophenyl)methanone.
What is the SMILES notation for [2-amino-3-[4-[2-(diethylamino)ethoxy]-2,6-difluorobenzoyl]imidazo[1,2-a]pyridin-6-yl]-(2,6-dichlorophenyl)methanone?
The canonical SMILES for [2-amino-3-[4-[2-(diethylamino)ethoxy]-2,6-difluorobenzoyl]imidazo[1,2-a]pyridin-6-yl]-(2,6-dichlorophenyl)methanone is CCN(CC)CCOc1cc(F)c(C(=O)c2c(N)nc3ccc(C(=O)c4c(Cl)cccc4Cl)cn23)c(F)c1.
What is the InChIKey of [2-amino-3-[4-[2-(diethylamino)ethoxy]-2,6-difluorobenzoyl]imidazo[1,2-a]pyridin-6-yl]-(2,6-dichlorophenyl)methanone?
The InChIKey is KTCQHWZTQBQKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24Cl2F2N4O3/c1-3-34(4-2)10-11-38-16-12-19(30)23(20(31)13-16)26(37)24-27(32)33-21-9-8-15(14-35(21)24)25(36)22-17(28)6-5-7-18(22)29/h5-9,12-14H,3-4,10-11,32H2,1-2H3.
What are the key properties of [2-amino-3-[4-[2-(diethylamino)ethoxy]-2,6-difluorobenzoyl]imidazo[1,2-a]pyridin-6-yl]-(2,6-dichlorophenyl)methanone?
[2-amino-3-[4-[2-(diethylamino)ethoxy]-2,6-difluorobenzoyl]imidazo[1,2-a]pyridin-6-yl]-(2,6-dichlorophenyl)methanone has a molecular weight of 561.42 g/mol, XLogP of 5.68, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-3-[4-[2-(diethylamino)ethoxy]-2,6-difluorobenzoyl]imidazo[1,2-a]pyridin-6-yl]-(2,6-dichlorophenyl)methanone is sourced from PubChem (CID 5330640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).