N-[6-chloro-7-(2-fluoro-6-methoxyphenyl)-3-(4-prop-2-enoylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]acetamide

C23H23ClFN5O3 — CID 135263733

IUPACN-[6-chloro-7-(2-fluoro-6-methoxyphenyl)-3-(4-prop-2-enoylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]acetamide
SMILESC=CC(=O)N1CCN(c2c(NC(C)=O)nc3cc(-c4c(F)cccc4OC)c(Cl)cn23)CC1
InChIInChI=1S/C23H23ClFN5O3/c1-4-20(32)28-8-10-29(11-9-28)23-22(26-14(2)31)27-19-12-15(16(24)13-30(19)23)21-17(25)6-5-7-18(21)33-3/h4-7,12-13H,1,8-11H2,2-3H3,(H,26,31)
InChIKeyWNONFZXBWOAPNM-UHFFFAOYSA-N
MW471.92 g/mol
LogP3.60
Rot. Bonds5

About N-[6-chloro-7-(2-fluoro-6-methoxyphenyl)-3-(4-prop-2-enoylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]acetamide

N-[6-chloro-7-(2-fluoro-6-methoxyphenyl)-3-(4-prop-2-enoylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]acetamide (PubChem CID 135263733) has the molecular formula C23H23ClFN5O3 and a molecular weight of 471.92 g/mol. Its IUPAC name is N-[6-chloro-7-(2-fluoro-6-methoxyphenyl)-3-(4-prop-2-enoylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]acetamide.

Molecular Properties

Compound NameN-[6-chloro-7-(2-fluoro-6-methoxyphenyl)-3-(4-prop-2-enoylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]acetamide
PubChem CID135263733
Molecular FormulaC23H23ClFN5O3
Molecular Weight471.92 g/mol
Exact Mass471.15
IUPAC NameN-[6-chloro-7-(2-fluoro-6-methoxyphenyl)-3-(4-prop-2-enoylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]acetamide
SMILESC=CC(=O)N1CCN(c2c(NC(C)=O)nc3cc(-c4c(F)cccc4OC)c(Cl)cn23)CC1
InChIInChI=1S/C23H23ClFN5O3/c1-4-20(32)28-8-10-29(11-9-28)23-22(26-14(2)31)27-19-12-15(16(24)13-30(19)23)21-17(25)6-5-7-18(21)33-3/h4-7,12-13H,1,8-11H2,2-3H3,(H,26,31)
InChIKeyWNONFZXBWOAPNM-UHFFFAOYSA-N
XLogP3.60
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.92
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[6-chloro-7-(2-fluoro-6-methoxyphenyl)-3-(4-prop-2-enoylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]acetamide?
The IUPAC name of N-[6-chloro-7-(2-fluoro-6-methoxyphenyl)-3-(4-prop-2-enoylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]acetamide (CID 135263733) is N-[6-chloro-7-(2-fluoro-6-methoxyphenyl)-3-(4-prop-2-enoylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]acetamide.
What is the SMILES notation for N-[6-chloro-7-(2-fluoro-6-methoxyphenyl)-3-(4-prop-2-enoylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]acetamide?
The canonical SMILES for N-[6-chloro-7-(2-fluoro-6-methoxyphenyl)-3-(4-prop-2-enoylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]acetamide is C=CC(=O)N1CCN(c2c(NC(C)=O)nc3cc(-c4c(F)cccc4OC)c(Cl)cn23)CC1.
What is the InChIKey of N-[6-chloro-7-(2-fluoro-6-methoxyphenyl)-3-(4-prop-2-enoylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]acetamide?
The InChIKey is WNONFZXBWOAPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClFN5O3/c1-4-20(32)28-8-10-29(11-9-28)23-22(26-14(2)31)27-19-12-15(16(24)13-30(19)23)21-17(25)6-5-7-18(21)33-3/h4-7,12-13H,1,8-11H2,2-3H3,(H,26,31).
What are the key properties of N-[6-chloro-7-(2-fluoro-6-methoxyphenyl)-3-(4-prop-2-enoylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]acetamide?
N-[6-chloro-7-(2-fluoro-6-methoxyphenyl)-3-(4-prop-2-enoylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]acetamide has a molecular weight of 471.92 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-chloro-7-(2-fluoro-6-methoxyphenyl)-3-(4-prop-2-enoylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]acetamide is sourced from PubChem (CID 135263733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).